N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

C16H29NO — CID 122582450

IUPACN-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCC(C)(C)CC1C(=O)NC(C)CC
InChIInChI=1S/C16H29NO/c1-7-12(4)17-15(18)14-10-16(5,6)9-8-13(14)11(2)3/h12-14H,2,7-10H2,1,3-6H3,(H,17,18)
InChIKeyCWTDPXLCIJTWKP-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.92
Rot. Bonds4

About N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (PubChem CID 122582450) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
PubChem CID122582450
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCC(C)(C)CC1C(=O)NC(C)CC
InChIInChI=1S/C16H29NO/c1-7-12(4)17-15(18)14-10-16(5,6)9-8-13(14)11(2)3/h12-14H,2,7-10H2,1,3-6H3,(H,17,18)
InChIKeyCWTDPXLCIJTWKP-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (CID 122582450) is N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is C=C(C)C1CCC(C)(C)CC1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is CWTDPXLCIJTWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-12(4)17-15(18)14-10-16(5,6)9-8-13(14)11(2)3/h12-14H,2,7-10H2,1,3-6H3,(H,17,18).
What are the key properties of N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 251.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 122582450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).