N'-nonyl-N'-undecylbutanediamide;propane

C27H56N2O2 — CID 172578364

IUPACN'-nonyl-N'-undecylbutanediamide;propane
SMILESCCC.CCCCCCCCCCCN(CCCCCCCCC)C(=O)CCC(N)=O
InChIInChI=1S/C24H48N2O2.C3H8/c1-3-5-7-9-11-12-14-16-18-22-26(24(28)20-19-23(25)27)21-17-15-13-10-8-6-4-2;1-3-2/h3-22H2,1-2H3,(H2,25,27);3H2,1-2H3
InChIKeyCFMWRNHIHCXSFN-UHFFFAOYSA-N
MW440.76 g/mol
LogP7.78
Rot. Bonds21

About N'-nonyl-N'-undecylbutanediamide;propane

N'-nonyl-N'-undecylbutanediamide;propane (PubChem CID 172578364) has the molecular formula C27H56N2O2 and a molecular weight of 440.76 g/mol. Its IUPAC name is N'-nonyl-N'-undecylbutanediamide;propane.

Molecular Properties

Compound NameN'-nonyl-N'-undecylbutanediamide;propane
PubChem CID172578364
Molecular FormulaC27H56N2O2
Molecular Weight440.76 g/mol
Exact Mass440.43
IUPAC NameN'-nonyl-N'-undecylbutanediamide;propane
SMILESCCC.CCCCCCCCCCCN(CCCCCCCCC)C(=O)CCC(N)=O
InChIInChI=1S/C24H48N2O2.C3H8/c1-3-5-7-9-11-12-14-16-18-22-26(24(28)20-19-23(25)27)21-17-15-13-10-8-6-4-2;1-3-2/h3-22H2,1-2H3,(H2,25,27);3H2,1-2H3
InChIKeyCFMWRNHIHCXSFN-UHFFFAOYSA-N
XLogP7.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.76
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-nonyl-N'-undecylbutanediamide;propane 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'-dioctylhexanediamide
CID 53437404
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N-di(undecyl)pentanamide
CID 532896
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-butyl-N-octyldecanamide
CID 18913402
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
propyl 4-[di(nonyl)amino]-4-oxobutanoate
CID 91703014
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452
N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
CID 11949663

Frequently Asked Questions

What is the IUPAC name of N'-nonyl-N'-undecylbutanediamide;propane?
The IUPAC name of N'-nonyl-N'-undecylbutanediamide;propane (CID 172578364) is N'-nonyl-N'-undecylbutanediamide;propane.
What is the SMILES notation for N'-nonyl-N'-undecylbutanediamide;propane?
The canonical SMILES for N'-nonyl-N'-undecylbutanediamide;propane is CCC.CCCCCCCCCCCN(CCCCCCCCC)C(=O)CCC(N)=O.
What is the InChIKey of N'-nonyl-N'-undecylbutanediamide;propane?
The InChIKey is CFMWRNHIHCXSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2.C3H8/c1-3-5-7-9-11-12-14-16-18-22-26(24(28)20-19-23(25)27)21-17-15-13-10-8-6-4-2;1-3-2/h3-22H2,1-2H3,(H2,25,27);3H2,1-2H3.
What are the key properties of N'-nonyl-N'-undecylbutanediamide;propane?
N'-nonyl-N'-undecylbutanediamide;propane has a molecular weight of 440.76 g/mol, XLogP of 7.78, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-nonyl-N'-undecylbutanediamide;propane is sourced from PubChem (CID 172578364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).