(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide

C23H22N2O5 — CID 1307684

IUPAC(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O5/c1-29-19-11-8-17(9-12-19)20(16-6-4-3-5-7-16)15-23(26)24-21-14-18(25(27)28)10-13-22(21)30-2/h3-14,20H,15H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyDUGBJYYJNCDOQE-HXUWFJFHSA-N
MW406.44 g/mol
LogP4.77
Rot. Bonds8

About (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide

(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 1307684) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID1307684
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O5/c1-29-19-11-8-17(9-12-19)20(16-6-4-3-5-7-16)15-23(26)24-21-14-18(25(27)28)10-13-22(21)30-2/h3-14,20H,15H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyDUGBJYYJNCDOQE-HXUWFJFHSA-N
XLogP4.77
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
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

(3S)-3-(4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
CID 1305011
2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9101632
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
(3R)-5-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-4-oxo-3-phenylpentanamide
CID 159611555
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7265743
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7265744
1-(3,3-diphenylpropanoylamino)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 3770997
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide (CID 1307684) is (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1.
What is the InChIKey of (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is DUGBJYYJNCDOQE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-29-19-11-8-17(9-12-19)20(16-6-4-3-5-7-16)15-23(26)24-21-14-18(25(27)28)10-13-22(21)30-2/h3-14,20H,15H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 406.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 1307684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).