(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide

C23H23N3O4 — CID 9445757

IUPAC(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H23N3O4/c1-16(23(27)25-20-14-13-19(30-2)15-21(20)26(28)29)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22,24H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyKRPIYDOKXHWQPZ-MRXNPFEDSA-N
MW405.45 g/mol
LogP4.31
Rot. Bonds8

About (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide

(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide (PubChem CID 9445757) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide
PubChem CID9445757
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H23N3O4/c1-16(23(27)25-20-14-13-19(30-2)15-21(20)26(28)29)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22,24H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyKRPIYDOKXHWQPZ-MRXNPFEDSA-N
XLogP4.31
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
(2S)-N-(2-methoxyphenyl)-2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 39948957
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954397
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide (CID 9445757) is (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide?
The InChIKey is KRPIYDOKXHWQPZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16(23(27)25-20-14-13-19(30-2)15-21(20)26(28)29)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22,24H,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide?
(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide has a molecular weight of 405.45 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 9445757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).