N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide

C21H26N2O — CID 126125541

IUPACN-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide
SMILESC/C(CC(C)(C)c1ccccc1)=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C21H26N2O/c1-17(16-21(2,3)19-12-8-5-9-13-19)22-23-20(24)15-14-18-10-6-4-7-11-18/h4-13H,14-16H2,1-3H3,(H,23,24)/b22-17-
InChIKeyRUEPSFALBWSSEM-XLNRJJMWSA-N
MW322.45 g/mol
LogP4.48
Rot. Bonds7

About N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide

N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide (PubChem CID 126125541) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide
PubChem CID126125541
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide
SMILESC/C(CC(C)(C)c1ccccc1)=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C21H26N2O/c1-17(16-21(2,3)19-12-8-5-9-13-19)22-23-20(24)15-14-18-10-6-4-7-11-18/h4-13H,14-16H2,1-3H3,(H,23,24)/b22-17-
InChIKeyRUEPSFALBWSSEM-XLNRJJMWSA-N
XLogP4.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.48
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

2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 6105971
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6379598
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126031826
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine
CID 6105127

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide?
The IUPAC name of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide (CID 126125541) is N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide.
What is the SMILES notation for N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide?
The canonical SMILES for N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide is C/C(CC(C)(C)c1ccccc1)=N/NC(=O)CCc1ccccc1.
What is the InChIKey of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide?
The InChIKey is RUEPSFALBWSSEM-XLNRJJMWSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17(16-21(2,3)19-12-8-5-9-13-19)22-23-20(24)15-14-18-10-6-4-7-11-18/h4-13H,14-16H2,1-3H3,(H,23,24)/b22-17-.
What are the key properties of N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide?
N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide is sourced from PubChem (CID 126125541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).