2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide

C19H21N3O5 — CID 17189238

IUPAC2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-12(2)18(23)20-14-5-4-6-15(11-14)21-19(24)13(3)27-17-9-7-16(8-10-17)22(25)26/h4-13H,1-3H3,(H,20,23)(H,21,24)
InChIKeyLDEIRBJVBVXBAC-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.60
Rot. Bonds7

About 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide

2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide (PubChem CID 17189238) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
PubChem CID17189238
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c1-12(2)18(23)20-14-5-4-6-15(11-14)21-19(24)13(3)27-17-9-7-16(8-10-17)22(25)26/h4-13H,1-3H3,(H,20,23)(H,21,24)
InChIKeyLDEIRBJVBVXBAC-UHFFFAOYSA-N
XLogP3.60
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.60
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'}

Analyze 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]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

(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide
CID 17079629
N-(3-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43877491
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide (CID 17189238) is 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide is CC(C)C(=O)Nc1cccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide?
The InChIKey is LDEIRBJVBVXBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12(2)18(23)20-14-5-4-6-15(11-14)21-19(24)13(3)27-17-9-7-16(8-10-17)22(25)26/h4-13H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide?
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide has a molecular weight of 371.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 17189238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).