N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide

C13H19ClN2O4 — CID 168637210

IUPACN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NCC(O)CCl
InChIInChI=1S/C13H19ClN2O4/c1-19-8-13(18)16-11-4-3-10(20-2)5-12(11)15-7-9(17)6-14/h3-5,9,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyZGNKGXOMYUMRBL-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.29
Rot. Bonds8

About N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide

N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide (PubChem CID 168637210) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
PubChem CID168637210
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC NameN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NCC(O)CCl
InChIInChI=1S/C13H19ClN2O4/c1-19-8-13(18)16-11-4-3-10(20-2)5-12(11)15-7-9(17)6-14/h3-5,9,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyZGNKGXOMYUMRBL-UHFFFAOYSA-N
XLogP1.29
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide 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-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide
CID 168636880
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
1-chloro-3-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 168636517
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 168520794
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168579680
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
methyl 2-[3-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenoxy]acetate
CID 168637947
N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
CID 169338288
2-(2,4-difluorophenyl)-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131889857
2-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxybenzoic acid
CID 81309534
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide (CID 168637210) is N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OC)cc1NCC(O)CCl.
What is the InChIKey of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide?
The InChIKey is ZGNKGXOMYUMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4/c1-19-8-13(18)16-11-4-3-10(20-2)5-12(11)15-7-9(17)6-14/h3-5,9,15,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide?
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide has a molecular weight of 302.76 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide is sourced from PubChem (CID 168637210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).