4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

C23H29N3O4 — CID 55636040

IUPAC4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-5-30-20-12-10-18(11-13-20)22(28)25-15-21(27)24-14-17-6-8-19(9-7-17)23(29)26(4)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyGYLSCAGLEWGMHW-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.61
Rot. Bonds9

About 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 55636040) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
PubChem CID55636040
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-5-30-20-12-10-18(11-13-20)22(28)25-15-21(27)24-14-17-6-8-19(9-7-17)23(29)26(4)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyGYLSCAGLEWGMHW-UHFFFAOYSA-N
XLogP2.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide 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-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46465059
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55857985
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 120520387
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (CID 55636040) is 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1.
What is the InChIKey of 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is GYLSCAGLEWGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-5-30-20-12-10-18(11-13-20)22(28)25-15-21(27)24-14-17-6-8-19(9-7-17)23(29)26(4)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 411.50 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55636040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).