N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide

C16H22N2O — CID 27459213

IUPACN-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide
SMILESC[C@H](/C=N\NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-13(14-8-4-2-5-9-14)12-17-18-16(19)15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,18,19)/b17-12-/t13-/m1/s1
InChIKeyPBACQIGTQXKMOT-KAECEXQPSA-N
MW258.37 g/mol
LogP3.47
Rot. Bonds4

About N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide

N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide (PubChem CID 27459213) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide
PubChem CID27459213
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide
SMILESC[C@H](/C=N\NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-13(14-8-4-2-5-9-14)12-17-18-16(19)15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,18,19)/b17-12-/t13-/m1/s1
InChIKeyPBACQIGTQXKMOT-KAECEXQPSA-N
XLogP3.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
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-[(Z)-[(2R)-2-phenylpropylidene]amino]cyclohexanecarboxamide
CID 27459209
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclopropane-1-carboxamide
CID 7334379
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
N-(2-phenylpropylideneamino)heptanamide
CID 4588696

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide (CID 27459213) is N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide is C[C@H](/C=N\NC(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide?
The InChIKey is PBACQIGTQXKMOT-KAECEXQPSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(14-8-4-2-5-9-14)12-17-18-16(19)15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,18,19)/b17-12-/t13-/m1/s1.
What are the key properties of N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide?
N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide is sourced from PubChem (CID 27459213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).