4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C28H32N4O3 — CID 54845526

IUPAC4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)cc1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-20(22-9-5-4-6-10-22)30-28(35)23-13-15-24(16-14-23)31-26(33)19-29-25-11-7-8-21(18-25)12-17-27(34)32(2)3/h4-11,13-16,18,20,29H,12,17,19H2,1-3H3,(H,30,35)(H,31,33)
InChIKeyUVISCTZKSKZKAN-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.25
Rot. Bonds10

About 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54845526) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54845526
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)cc1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-20(22-9-5-4-6-10-22)30-28(35)23-13-15-24(16-14-23)31-26(33)19-29-25-11-7-8-21(18-25)12-17-27(34)32(2)3/h4-11,13-16,18,20,29H,12,17,19H2,1-3H3,(H,30,35)(H,31,33)
InChIKeyUVISCTZKSKZKAN-UHFFFAOYSA-N
XLogP4.25
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]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

3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841395
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833387
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825206
3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54845946

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54845526) is 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)CNc2cccc(CCC(=O)N(C)C)c2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is UVISCTZKSKZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20(22-9-5-4-6-10-22)30-28(35)23-13-15-24(16-14-23)31-26(33)19-29-25-11-7-8-21(18-25)12-17-27(34)32(2)3/h4-11,13-16,18,20,29H,12,17,19H2,1-3H3,(H,30,35)(H,31,33).
What are the key properties of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.25, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54845526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).