N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide

C23H20N4O8 — CID 3394012

IUPACN,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
SMILESCOc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20N4O8/c1-34-15-8-10-17(19(12-15)26(30)31)24-22(28)21(14-6-4-3-5-7-14)23(29)25-18-11-9-16(35-2)13-20(18)27(32)33/h3-13,21H,1-2H3,(H,24,28)(H,25,29)
InChIKeyHRLSZNVZUWCSPB-UHFFFAOYSA-N
MW480.43 g/mol
LogP3.88
Rot. Bonds9

About N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide

N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide (PubChem CID 3394012) has the molecular formula C23H20N4O8 and a molecular weight of 480.43 g/mol. Its IUPAC name is N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
PubChem CID3394012
Molecular FormulaC23H20N4O8
Molecular Weight480.43 g/mol
Exact Mass480.13
IUPAC NameN,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
SMILESCOc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H20N4O8/c1-34-15-8-10-17(19(12-15)26(30)31)24-22(28)21(14-6-4-3-5-7-14)23(29)25-18-11-9-16(35-2)13-20(18)27(32)33/h3-13,21H,1-2H3,(H,24,28)(H,25,29)
InChIKeyHRLSZNVZUWCSPB-UHFFFAOYSA-N
XLogP3.88
TPSA162.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(benzhydrylamino)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 9445757
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954397
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide?
The IUPAC name of N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide (CID 3394012) is N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide.
What is the SMILES notation for N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide?
The canonical SMILES for N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide is COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide?
The InChIKey is HRLSZNVZUWCSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O8/c1-34-15-8-10-17(19(12-15)26(30)31)24-22(28)21(14-6-4-3-5-7-14)23(29)25-18-11-9-16(35-2)13-20(18)27(32)33/h3-13,21H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide?
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide has a molecular weight of 480.43 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide is sourced from PubChem (CID 3394012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).