N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide

C23H27N3O2 — CID 6260418

IUPACN-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
SMILESC/C(=N/NC(=O)Cc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H27N3O2/c1-17(25-26-22(27)15-18-9-4-2-5-10-18)20-13-8-14-21(16-20)24-23(28)19-11-6-3-7-12-19/h2,4-5,8-10,13-14,16,19H,3,6-7,11-12,15H2,1H3,(H,24,28)(H,26,27)/b25-17-
InChIKeyTXGLVPBXJFRHQZ-UQQQWYQISA-N
MW377.49 g/mol
LogP4.29
Rot. Bonds6

About N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide

N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide (PubChem CID 6260418) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
PubChem CID6260418
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
SMILESC/C(=N/NC(=O)Cc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H27N3O2/c1-17(25-26-22(27)15-18-9-4-2-5-10-18)20-13-8-14-21(16-20)24-23(28)19-11-6-3-7-12-19/h2,4-5,8-10,13-14,16,19H,3,6-7,11-12,15H2,1H3,(H,24,28)(H,26,27)/b25-17-
InChIKeyTXGLVPBXJFRHQZ-UQQQWYQISA-N
XLogP4.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5095870
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 7308855
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 3425855
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
N-[3-[N-[[(1S)-2,2-dibromo-1-methylcyclopropanecarbonyl]amino]-C-methylcarbonimidoyl]phenyl]cyclobutanecarboxamide
CID 129439535
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide (CID 6260418) is N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide is C/C(=N/NC(=O)Cc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide?
The InChIKey is TXGLVPBXJFRHQZ-UQQQWYQISA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(25-26-22(27)15-18-9-4-2-5-10-18)20-13-8-14-21(16-20)24-23(28)19-11-6-3-7-12-19/h2,4-5,8-10,13-14,16,19H,3,6-7,11-12,15H2,1H3,(H,24,28)(H,26,27)/b25-17-.
What are the key properties of N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide?
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 6260418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).