N-butan-2-yl-N-cyclohexylhexanamide

C16H31NO — CID 153425268

IUPACN-butan-2-yl-N-cyclohexylhexanamide
SMILESCCCCCC(=O)N(C(C)CC)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-4-6-8-13-16(18)17(14(3)5-2)15-11-9-7-10-12-15/h14-15H,4-13H2,1-3H3
InChIKeyGGDVIEWSOWFEOE-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.53
Rot. Bonds7

About N-butan-2-yl-N-cyclohexylhexanamide

N-butan-2-yl-N-cyclohexylhexanamide (PubChem CID 153425268) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-butan-2-yl-N-cyclohexylhexanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-cyclohexylhexanamide
PubChem CID153425268
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-butan-2-yl-N-cyclohexylhexanamide
SMILESCCCCCC(=O)N(C(C)CC)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-4-6-8-13-16(18)17(14(3)5-2)15-11-9-7-10-12-15/h14-15H,4-13H2,1-3H3
InChIKeyGGDVIEWSOWFEOE-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-N-cyclohexylhexanamide 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

1-Hexanoylpiperidine
CID 246831
N,N-Dibutylhexanamide
CID 304113
N,N-bis[4-(dimethylamino)butyl]hexanamide
CID 423377
N,N-Diethylhexanamide
CID 221977
N,N-Dipropylhexanamide
CID 221999
1-Cyclohexyl-5-methyl-pyrrolidin-2-one
CID 10352308
Acetamide, N-cyclohexyl-N-methyl-
CID 243970
N,N-di(propan-2-yl)decanamide
CID 304120
N,N-di(propan-2-yl)octanamide
CID 304133
N,N-dii-propyllauramide
CID 3384996
1-(2-Methylpiperidin-1-yl)octan-1-one
CID 303110
N-cyclohexyl-N-ethyl-3-methylbutanamide
CID 670174

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-cyclohexylhexanamide?
The IUPAC name of N-butan-2-yl-N-cyclohexylhexanamide (CID 153425268) is N-butan-2-yl-N-cyclohexylhexanamide.
What is the SMILES notation for N-butan-2-yl-N-cyclohexylhexanamide?
The canonical SMILES for N-butan-2-yl-N-cyclohexylhexanamide is CCCCCC(=O)N(C(C)CC)C1CCCCC1.
What is the InChIKey of N-butan-2-yl-N-cyclohexylhexanamide?
The InChIKey is GGDVIEWSOWFEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-6-8-13-16(18)17(14(3)5-2)15-11-9-7-10-12-15/h14-15H,4-13H2,1-3H3.
What are the key properties of N-butan-2-yl-N-cyclohexylhexanamide?
N-butan-2-yl-N-cyclohexylhexanamide has a molecular weight of 253.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-cyclohexylhexanamide is sourced from PubChem (CID 153425268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).