2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide

C20H25N3O4 — CID 47065312

IUPAC2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2c(C)cccc2C)cc1OCC(N)=O
InChIInChI=1S/C20H25N3O4/c1-12-6-5-7-13(2)19(12)23-20(25)14(3)22-15-8-9-16(26-4)17(10-15)27-11-18(21)24/h5-10,14,22H,11H2,1-4H3,(H2,21,24)(H,23,25)
InChIKeyNQWUWUJNUGPSFB-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.62
Rot. Bonds8

About 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide

2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 47065312) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID47065312
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2c(C)cccc2C)cc1OCC(N)=O
InChIInChI=1S/C20H25N3O4/c1-12-6-5-7-13(2)19(12)23-20(25)14(3)22-15-8-9-16(26-4)17(10-15)27-11-18(21)24/h5-10,14,22H,11H2,1-4H3,(H2,21,24)(H,23,25)
InChIKeyNQWUWUJNUGPSFB-UHFFFAOYSA-N
XLogP2.62
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)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

2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-quinolin-5-ylpropanamide
CID 55914859
2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
CID 56805403
2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624450
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
CID 134041322
2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624444
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 55419510
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylanilino)propanamide
CID 51242692
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
CID 55545093

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide (CID 47065312) is 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide is COc1ccc(NC(C)C(=O)Nc2c(C)cccc2C)cc1OCC(N)=O.
What is the InChIKey of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is NQWUWUJNUGPSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12-6-5-7-13(2)19(12)23-20(25)14(3)22-15-8-9-16(26-4)17(10-15)27-11-18(21)24/h5-10,14,22H,11H2,1-4H3,(H2,21,24)(H,23,25).
What are the key properties of 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide?
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 371.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 47065312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).