4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

C27H31N3O3 — CID 54846111

IUPAC4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C27H31N3O3/c1-19(2)18-33-25-12-8-7-11-24(25)30-26(31)17-28-23-15-13-22(14-16-23)27(32)29-20(3)21-9-5-4-6-10-21/h4-16,19-20,28H,17-18H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyHBPAVQZLPQLPQX-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.26
Rot. Bonds10

About 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54846111) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54846111
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C27H31N3O3/c1-19(2)18-33-25-12-8-7-11-24(25)30-26(31)17-28-23-15-13-22(14-16-23)27(32)29-20(3)21-9-5-4-6-10-21/h4-16,19-20,28H,17-18H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyHBPAVQZLPQLPQX-UHFFFAOYSA-N
XLogP5.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide 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-methyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823920
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841714
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-butan-2-yl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835273
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54846111) is 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is CC(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is HBPAVQZLPQLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-19(2)18-33-25-12-8-7-11-24(25)30-26(31)17-28-23-15-13-22(14-16-23)27(32)29-20(3)21-9-5-4-6-10-21/h4-16,19-20,28H,17-18H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 445.56 g/mol, XLogP of 5.26, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54846111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).