N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide

C24H46N2O — CID 146474949

IUPACN-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
SMILESO=C(NCCCCCCCCCCCCNC1CCCCC1)C1CCCC1
InChIInChI=1S/C24H46N2O/c27-24(22-16-12-13-17-22)26-21-15-8-6-4-2-1-3-5-7-14-20-25-23-18-10-9-11-19-23/h22-23,25H,1-21H2,(H,26,27)
InChIKeyYZSDYGNZHHXSFZ-UHFFFAOYSA-N
MW378.65 g/mol
LogP6.12
Rot. Bonds15

About N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide

N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide (PubChem CID 146474949) has the molecular formula C24H46N2O and a molecular weight of 378.65 g/mol. Its IUPAC name is N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
PubChem CID146474949
Molecular FormulaC24H46N2O
Molecular Weight378.65 g/mol
Exact Mass378.36
IUPAC NameN-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
SMILESO=C(NCCCCCCCCCCCCNC1CCCCC1)C1CCCC1
InChIInChI=1S/C24H46N2O/c27-24(22-16-12-13-17-22)26-21-15-8-6-4-2-1-3-5-7-14-20-25-23-18-10-9-11-19-23/h22-23,25H,1-21H2,(H,26,27)
InChIKeyYZSDYGNZHHXSFZ-UHFFFAOYSA-N
XLogP6.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide 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-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115676200
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565

Frequently Asked Questions

What is the IUPAC name of N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide?
The IUPAC name of N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide (CID 146474949) is N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide?
The canonical SMILES for N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide is O=C(NCCCCCCCCCCCCNC1CCCCC1)C1CCCC1.
What is the InChIKey of N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide?
The InChIKey is YZSDYGNZHHXSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O/c27-24(22-16-12-13-17-22)26-21-15-8-6-4-2-1-3-5-7-14-20-25-23-18-10-9-11-19-23/h22-23,25H,1-21H2,(H,26,27).
What are the key properties of N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide?
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide has a molecular weight of 378.65 g/mol, XLogP of 6.12, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide is sourced from PubChem (CID 146474949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).