3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide

C23H24N2O2 — CID 55651913

IUPAC3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H24N2O2/c26-22(24-16-8-11-18-9-3-1-4-10-18)20-14-7-15-21(17-20)25-23(27)19-12-5-2-6-13-19/h1,3-4,7,9-10,14-15,17,19H,2,5-6,12-13,16H2,(H,24,26)(H,25,27)
InChIKeyDPJQOYQWZSCOSA-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.99
Rot. Bonds4

About 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide

3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 55651913) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID55651913
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H24N2O2/c26-22(24-16-8-11-18-9-3-1-4-10-18)20-14-7-15-21(17-20)25-23(27)19-12-5-2-6-13-19/h1,3-4,7,9-10,14-15,17,19H,2,5-6,12-13,16H2,(H,24,26)(H,25,27)
InChIKeyDPJQOYQWZSCOSA-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
CID 39908237
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771
3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 24672518
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide (CID 55651913) is 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide is O=C(NCC#Cc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is DPJQOYQWZSCOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22(24-16-8-11-18-9-3-1-4-10-18)20-14-7-15-21(17-20)25-23(27)19-12-5-2-6-13-19/h1,3-4,7,9-10,14-15,17,19H,2,5-6,12-13,16H2,(H,24,26)(H,25,27).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 55651913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).