N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide

C27H51N3O5 — CID 123384805

IUPACN-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide
SMILESCCC(CC)(CCOC(C)(C)CCCNC(=O)CCCCCNC)OCCn1c(O)cc(C)c1O
InChIInChI=1S/C27H51N3O5/c1-7-27(8-2,35-20-18-30-24(32)21-22(3)25(30)33)15-19-34-26(4,5)14-12-17-29-23(31)13-10-9-11-16-28-6/h21,28,32-33H,7-20H2,1-6H3,(H,29,31)
InChIKeyKAWGLGQCDRWILR-UHFFFAOYSA-N
MW497.72 g/mol
LogP4.64
Rot. Bonds20

About N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide

N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide (PubChem CID 123384805) has the molecular formula C27H51N3O5 and a molecular weight of 497.72 g/mol. Its IUPAC name is N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide.

Molecular Properties

Compound NameN-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide
PubChem CID123384805
Molecular FormulaC27H51N3O5
Molecular Weight497.72 g/mol
Exact Mass497.38
IUPAC NameN-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide
SMILESCCC(CC)(CCOC(C)(C)CCCNC(=O)CCCCCNC)OCCn1c(O)cc(C)c1O
InChIInChI=1S/C27H51N3O5/c1-7-27(8-2,35-20-18-30-24(32)21-22(3)25(30)33)15-19-34-26(4,5)14-12-17-29-23(31)13-10-9-11-16-28-6/h21,28,32-33H,7-20H2,1-6H3,(H,29,31)
InChIKeyKAWGLGQCDRWILR-UHFFFAOYSA-N
XLogP4.64
TPSA104.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.72
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide 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'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide
CID 90809410
N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylpentoxy)-2-methylpropanamide
CID 90822953
N-[2-[2-[2-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 90823851
N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide
CID 90963090
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 91000341
6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
CID 91261605
3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)propyl 2-(pentanoylamino)acetate
CID 91338410
N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91411422
N-[2-[2-[2-[4-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91588544
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-methyl-4-(3-methyl-6-oxoheptan-3-yl)oxybutan-2-yl]oxyethyl]propanamide
CID 123157989
4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[5-(3,3-dimethyl-4-oxopentoxy)-2,5-dimethylhexan-2-yl]-4-methylpentanamide
CID 123211061

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide?
The IUPAC name of N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide (CID 123384805) is N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide.
What is the SMILES notation for N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide?
The canonical SMILES for N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide is CCC(CC)(CCOC(C)(C)CCCNC(=O)CCCCCNC)OCCn1c(O)cc(C)c1O.
What is the InChIKey of N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide?
The InChIKey is KAWGLGQCDRWILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N3O5/c1-7-27(8-2,35-20-18-30-24(32)21-22(3)25(30)33)15-19-34-26(4,5)14-12-17-29-23(31)13-10-9-11-16-28-6/h21,28,32-33H,7-20H2,1-6H3,(H,29,31).
What are the key properties of N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide?
N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide has a molecular weight of 497.72 g/mol, XLogP of 4.64, 20 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide is sourced from PubChem (CID 123384805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).