(2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

C21H25ClN2O — CID 139075875

IUPAC(2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESC/C(=N\NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-14(2)13-17-5-7-18(8-6-17)15(3)21(25)24-23-16(4)19-9-11-20(22)12-10-19/h5-12,14-15H,13H2,1-4H3,(H,24,25)/b23-16+/t15-/m0/s1
InChIKeyNDHCXNJGOAUSRD-IXSYQRGLSA-N
MW356.90 g/mol
LogP5.18
Rot. Bonds6

About (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

(2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 139075875) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID139075875
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name(2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESC/C(=N\NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-14(2)13-17-5-7-18(8-6-17)15(3)21(25)24-23-16(4)19-9-11-20(22)12-10-19/h5-12,14-15H,13H2,1-4H3,(H,24,25)/b23-16+/t15-/m0/s1
InChIKeyNDHCXNJGOAUSRD-IXSYQRGLSA-N
XLogP5.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.18
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-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 837870
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
N-[(Z)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 9059720

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 139075875) is (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is C/C(=N\NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is NDHCXNJGOAUSRD-IXSYQRGLSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-14(2)13-17-5-7-18(8-6-17)15(3)21(25)24-23-16(4)19-9-11-20(22)12-10-19/h5-12,14-15H,13H2,1-4H3,(H,24,25)/b23-16+/t15-/m0/s1.
What are the key properties of (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 356.90 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 139075875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).