N,N-di(undecyl)pentanamide

C27H55NO — CID 532896

IUPACN,N-di(undecyl)pentanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CCCC
InChIInChI=1S/C27H55NO/c1-4-7-10-12-14-16-18-20-22-25-28(27(29)24-9-6-3)26-23-21-19-17-15-13-11-8-5-2/h4-26H2,1-3H3
InChIKeyHBEHPZKSJAMBPI-UHFFFAOYSA-N
MW409.74 g/mol
LogP9.07
Rot. Bonds23

About N,N-di(undecyl)pentanamide

N,N-di(undecyl)pentanamide (PubChem CID 532896) has the molecular formula C27H55NO and a molecular weight of 409.74 g/mol. Its IUPAC name is N,N-di(undecyl)pentanamide.

Molecular Properties

Compound NameN,N-di(undecyl)pentanamide
PubChem CID532896
Molecular FormulaC27H55NO
Molecular Weight409.74 g/mol
Exact Mass409.43
IUPAC NameN,N-di(undecyl)pentanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CCCC
InChIInChI=1S/C27H55NO/c1-4-7-10-12-14-16-18-20-22-25-28(27(29)24-9-6-3)26-23-21-19-17-15-13-11-8-5-2/h4-26H2,1-3H3
InChIKeyHBEHPZKSJAMBPI-UHFFFAOYSA-N
XLogP9.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.74
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-di(undecyl)pentanamide 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,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N',N'-dioctylhexanediamide
CID 53437404
4-bromo-N,N-didecylbutanamide
CID 168865726
N,N-dipropylnonadecanamide
CID 12960009
6-bromo-N,N-dioctylhexanamide
CID 533338
N,N-bis[10-[dodecyl(octanoyl)amino]decyl]carbamoyl chloride
CID 176728208

Frequently Asked Questions

What is the IUPAC name of N,N-di(undecyl)pentanamide?
The IUPAC name of N,N-di(undecyl)pentanamide (CID 532896) is N,N-di(undecyl)pentanamide.
What is the SMILES notation for N,N-di(undecyl)pentanamide?
The canonical SMILES for N,N-di(undecyl)pentanamide is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CCCC.
What is the InChIKey of N,N-di(undecyl)pentanamide?
The InChIKey is HBEHPZKSJAMBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO/c1-4-7-10-12-14-16-18-20-22-25-28(27(29)24-9-6-3)26-23-21-19-17-15-13-11-8-5-2/h4-26H2,1-3H3.
What are the key properties of N,N-di(undecyl)pentanamide?
N,N-di(undecyl)pentanamide has a molecular weight of 409.74 g/mol, XLogP of 9.07, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(undecyl)pentanamide is sourced from PubChem (CID 532896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).