N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide

C38H74N2O15 — CID 176584288

IUPACN-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC[C@H](NC(=O)CCC(C)C)C(=O)C(C)C
InChIInChI=1S/C38H74N2O15/c1-33(2)6-7-37(42)40-35(38(43)34(3)4)32-39-36(41)8-9-45-12-13-47-16-17-49-20-21-51-24-25-53-28-29-55-31-30-54-27-26-52-23-22-50-19-18-48-15-14-46-11-10-44-5/h33-35H,6-32H2,1-5H3,(H,39,41)(H,40,42)/t35-/m0/s1
InChIKeyOSVYQXFZPPLWNB-DHUJRADRSA-N
MW799.01 g/mol
LogP1.47
Rot. Bonds44

About N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide

N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide (PubChem CID 176584288) has the molecular formula C38H74N2O15 and a molecular weight of 799.01 g/mol. Its IUPAC name is N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide
PubChem CID176584288
Molecular FormulaC38H74N2O15
Molecular Weight799.01 g/mol
Exact Mass798.51
IUPAC NameN-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC[C@H](NC(=O)CCC(C)C)C(=O)C(C)C
InChIInChI=1S/C38H74N2O15/c1-33(2)6-7-37(42)40-35(38(43)34(3)4)32-39-36(41)8-9-45-12-13-47-16-17-49-20-21-51-24-25-53-28-29-55-31-30-54-27-26-52-23-22-50-19-18-48-15-14-46-11-10-44-5/h33-35H,6-32H2,1-5H3,(H,39,41)(H,40,42)/t35-/m0/s1
InChIKeyOSVYQXFZPPLWNB-DHUJRADRSA-N
XLogP1.47
TPSA186.03 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds44
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.01
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2R)-4-methyl-2-(4-methylpentanoylamino)-3-oxopentoxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 176767830
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
(2S)-2-[3-(2-methoxyethoxy)propanoylamino]-3-methylbutanoic acid
CID 119360709
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
CID 170612923
N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
CID 170123968
(2S)-2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]-N,N'-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 177094516
3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(5S)-7-methyl-6-oxo-5-(propan-2-ylamino)octyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 176584355

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide (CID 176584288) is N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC[C@H](NC(=O)CCC(C)C)C(=O)C(C)C.
What is the InChIKey of N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide?
The InChIKey is OSVYQXFZPPLWNB-DHUJRADRSA-N. The full InChI is InChI=1S/C38H74N2O15/c1-33(2)6-7-37(42)40-35(38(43)34(3)4)32-39-36(41)8-9-45-12-13-47-16-17-49-20-21-51-24-25-53-28-29-55-31-30-54-27-26-52-23-22-50-19-18-48-15-14-46-11-10-44-5/h33-35H,6-32H2,1-5H3,(H,39,41)(H,40,42)/t35-/m0/s1.
What are the key properties of N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide?
N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide has a molecular weight of 799.01 g/mol, XLogP of 1.47, 44 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 176584288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).