2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide

C21H27N3O3 — CID 113160544

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-17(25)24(14-13-23(2)3)15-21(26)22-19-9-11-20(12-10-19)27-16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,22,26)
InChIKeyAEQDZLZGHKWLMR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.61
Rot. Bonds9

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 113160544) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID113160544
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-17(25)24(14-13-23(2)3)15-21(26)22-19-9-11-20(12-10-19)27-16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,22,26)
InChIKeyAEQDZLZGHKWLMR-UHFFFAOYSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide 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-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
CID 113158789
3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115673
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide (CID 113160544) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide is CC(=O)N(CCN(C)C)CC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is AEQDZLZGHKWLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-17(25)24(14-13-23(2)3)15-21(26)22-19-9-11-20(12-10-19)27-16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,22,26).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 113160544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).