N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide

C84H159N3O26 — CID 165038057

IUPACN-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide
SMILESC=C(CCCCCOC(C)C)NCCN(CCNC(=O)CCC(=O)CC(COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)(COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)C(=O)CCCO
InChIInChI=1S/C84H159N3O26/c1-73(2)110-47-15-13-14-23-74(3)85-33-35-87(80(94)27-16-37-88)36-34-86-79(93)29-28-78(92)69-84(70-107-44-20-41-95-48-30-75(89)24-17-38-98-51-54-101-57-60-104-63-66-111-81(4,5)6,71-108-45-21-42-96-49-31-76(90)25-18-39-99-52-55-102-58-61-105-64-67-112-82(7,8)9)72-109-46-22-43-97-50-32-77(91)26-19-40-100-53-56-103-59-62-106-65-68-113-83(10,11)12/h73,85,88H,3,13-72H2,1-2,4-12H3,(H,86,93)
InChIKeyBFKSOYHLLGZFEO-UHFFFAOYSA-N
MW1627.19 g/mol
LogP9.60
Rot. Bonds88

About N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide

N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide (PubChem CID 165038057) has the molecular formula C84H159N3O26 and a molecular weight of 1627.19 g/mol. Its IUPAC name is N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide.

Molecular Properties

Compound NameN-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide
PubChem CID165038057
Molecular FormulaC84H159N3O26
Molecular Weight1627.19 g/mol
Exact Mass1626.12
IUPAC NameN-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide
SMILESC=C(CCCCCOC(C)C)NCCN(CCNC(=O)CCC(=O)CC(COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)(COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)C(=O)CCCO
InChIInChI=1S/C84H159N3O26/c1-73(2)110-47-15-13-14-23-74(3)85-33-35-87(80(94)27-16-37-88)36-34-86-79(93)29-28-78(92)69-84(70-107-44-20-41-95-48-30-75(89)24-17-38-98-51-54-101-57-60-104-63-66-111-81(4,5)6,71-108-45-21-42-96-49-31-76(90)25-18-39-99-52-55-102-58-61-105-64-67-112-82(7,8)9)72-109-46-22-43-97-50-32-77(91)26-19-40-100-53-56-103-59-62-106-65-68-113-83(10,11)12/h73,85,88H,3,13-72H2,1-2,4-12H3,(H,86,93)
InChIKeyBFKSOYHLLGZFEO-UHFFFAOYSA-N
XLogP9.60
TPSA325.32 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds88
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.19
LogP ≤ 59.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-[2-[(3,9-dioxo-13-propan-2-yloxytridecoxy)methyl]-16,16-dimethyl-4,15-dioxo-2-[(9-oxo-13-propan-2-yloxytridecoxy)methyl]heptadecoxy]propanoylamino]propyl]-5-propan-2-yloxypentanamide
CID 167663213
N-[2-[2-aminoethyl(pentanoyl)amino]ethyl]-4-oxo-7-[3-(3-oxobutoxy)propoxy]-6,6-bis[3-(3-oxobutoxy)propoxymethyl]heptanamide
CID 163480364
N-[1-[3-[2-[5,5-bis(6-methoxyhexoxymethyl)-6-(6-methoxy-3-oxohexoxy)-3-oxohexoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[5,5-bis(6-methoxyhexoxymethyl)-6-(6-methoxy-3-oxohexoxy)-3-oxohexoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[6-(6-methoxy-3-oxohexoxy)-5,5-bis[(6-methoxy-3-oxohexoxy)methyl]-3-oxohexoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-propoxypropanamide
CID 158419828
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
CID 161203588
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide
CID 167214892
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)
CID 164974010
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
tert-butyl 4-[3-[5-[[10-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-3-oxopropoxy]butanoate
CID 158941725
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide?
The IUPAC name of N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide (CID 165038057) is N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide.
What is the SMILES notation for N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide?
The canonical SMILES for N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide is C=C(CCCCCOC(C)C)NCCN(CCNC(=O)CCC(=O)CC(COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)(COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)COCCCOCCC(=O)CCCOCCOCCOCCOC(C)(C)C)C(=O)CCCO.
What is the InChIKey of N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide?
The InChIKey is BFKSOYHLLGZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H159N3O26/c1-73(2)110-47-15-13-14-23-74(3)85-33-35-87(80(94)27-16-37-88)36-34-86-79(93)29-28-78(92)69-84(70-107-44-20-41-95-48-30-75(89)24-17-38-98-51-54-101-57-60-104-63-66-111-81(4,5)6,71-108-45-21-42-96-49-31-76(90)25-18-39-99-52-55-102-58-61-105-64-67-112-82(7,8)9)72-109-46-22-43-97-50-32-77(91)26-19-40-100-53-56-103-59-62-106-65-68-113-83(10,11)12/h73,85,88H,3,13-72H2,1-2,4-12H3,(H,86,93).
What are the key properties of N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide?
N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide has a molecular weight of 1627.19 g/mol, XLogP of 9.60, 88 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-hydroxybutanoyl-[2-(7-propan-2-yloxyhept-1-en-2-ylamino)ethyl]amino]ethyl]-7-[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxy]-6,6-bis[3-[6-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]propoxymethyl]-4-oxoheptanamide is sourced from PubChem (CID 165038057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).