N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide

C17H22N2O — CID 534328

IUPACN-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
SMILESCC1CCCC(=NNC(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C17H22N2O/c1-12-6-5-9-14(10-12)18-19-17(20)16-11-15(16)13-7-3-2-4-8-13/h2-4,7-8,12,15-16H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyUPXNXQWSYDTWFQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.47
Rot. Bonds3

About N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide

N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 534328) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
PubChem CID534328
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
SMILESCC1CCCC(=NNC(=O)C2CC2c2ccccc2)C1
InChIInChI=1S/C17H22N2O/c1-12-6-5-9-14(10-12)18-19-17(20)16-11-15(16)13-7-3-2-4-8-13/h2-4,7-8,12,15-16H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyUPXNXQWSYDTWFQ-UHFFFAOYSA-N
XLogP3.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 4080712
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
CID 6338711
trans-(1S,2S)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 7114982
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]furan-2-carboxamide
CID 7967526
[(E)-(3-methylcyclohexylidene)amino]urea
CID 5357776
1-benzyl-3-[(3-methylcyclohexylidene)amino]thiourea
CID 4136086
2-N,5-N-bis[(E)-(3-methylcyclohexylidene)amino]furan-2,5-dicarboxamide
CID 19579653
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide (CID 534328) is N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide is CC1CCCC(=NNC(=O)C2CC2c2ccccc2)C1.
What is the InChIKey of N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is UPXNXQWSYDTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-6-5-9-14(10-12)18-19-17(20)16-11-15(16)13-7-3-2-4-8-13/h2-4,7-8,12,15-16H,5-6,9-11H2,1H3,(H,19,20).
What are the key properties of N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide?
N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 534328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).