2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide

C20H23N3O5 — CID 8770143

IUPAC2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C20H23N3O5/c1-27-16-7-3-14(4-8-16)12-22(15-5-6-15)13-20(24)21-18-10-9-17(28-2)11-19(18)23(25)26/h3-4,7-11,15H,5-6,12-13H2,1-2H3,(H,21,24)
InChIKeyPGMJBGUPHGKROY-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.22
Rot. Bonds9

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 8770143) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID8770143
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C20H23N3O5/c1-27-16-7-3-14(4-8-16)12-22(15-5-6-15)13-20(24)21-18-10-9-17(28-2)11-19(18)23(25)26/h3-4,7-11,15H,5-6,12-13H2,1-2H3,(H,21,24)
InChIKeyPGMJBGUPHGKROY-UHFFFAOYSA-N
XLogP3.22
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8977885
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 8770143) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is PGMJBGUPHGKROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-16-7-3-14(4-8-16)12-22(15-5-6-15)13-20(24)21-18-10-9-17(28-2)11-19(18)23(25)26/h3-4,7-11,15H,5-6,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 8770143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).