N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide

C18H19N3O5 — CID 4943664

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-12(26-17-7-5-4-6-16(17)21(24)25)18(23)19-14-8-10-15(11-9-14)20(3)13(2)22/h4-12H,1-3H3,(H,19,23)
InChIKeySPWONAUEIWPGQK-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.98
Rot. Bonds6

About N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide (PubChem CID 4943664) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
PubChem CID4943664
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-12(26-17-7-5-4-6-16(17)21(24)25)18(23)19-14-8-10-15(11-9-14)20(3)13(2)22/h4-12H,1-3H3,(H,19,23)
InChIKeySPWONAUEIWPGQK-UHFFFAOYSA-N
XLogP2.98
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.98
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'}

Analyze N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943127
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 4944896
N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 17218280

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide (CID 4943664) is N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide is CC(=O)N(C)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide?
The InChIKey is SPWONAUEIWPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12(26-17-7-5-4-6-16(17)21(24)25)18(23)19-14-8-10-15(11-9-14)20(3)13(2)22/h4-12H,1-3H3,(H,19,23).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide has a molecular weight of 357.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 4943664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).