4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide

C17H29NO — CID 114202471

IUPAC4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
SMILESC#CC(NC(=O)C1CCC(CCCC)CC1)C(C)C
InChIInChI=1S/C17H29NO/c1-5-7-8-14-9-11-15(12-10-14)17(19)18-16(6-2)13(3)4/h2,13-16H,5,7-12H2,1,3-4H3,(H,18,19)
InChIKeyDHWHKVHYCWUNHA-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.76
Rot. Bonds6

About 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide

4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide (PubChem CID 114202471) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
PubChem CID114202471
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
SMILESC#CC(NC(=O)C1CCC(CCCC)CC1)C(C)C
InChIInChI=1S/C17H29NO/c1-5-7-8-14-9-11-15(12-10-14)17(19)18-16(6-2)13(3)4/h2,13-16H,5,7-12H2,1,3-4H3,(H,18,19)
InChIKeyDHWHKVHYCWUNHA-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide 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-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid
CID 22422561
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
4-butylcyclohexane-1-carbohydrazide
CID 2063620
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069
2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 126843797

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide (CID 114202471) is 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide is C#CC(NC(=O)C1CCC(CCCC)CC1)C(C)C.
What is the InChIKey of 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide?
The InChIKey is DHWHKVHYCWUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-8-14-9-11-15(12-10-14)17(19)18-16(6-2)13(3)4/h2,13-16H,5,7-12H2,1,3-4H3,(H,18,19).
What are the key properties of 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide?
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide has a molecular weight of 263.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114202471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).