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

C28H32N4O3 — CID 54841395

IUPAC3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-20(22-10-5-4-6-11-22)30-28(35)23-12-8-13-24(18-23)29-19-26(33)31-25-14-7-9-21(17-25)15-16-27(34)32(2)3/h4-14,17-18,20,29H,15-16,19H2,1-3H3,(H,30,35)(H,31,33)
InChIKeyHNRDXRBGPQVLSP-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.25
Rot. Bonds10

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

3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54841395) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54841395
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-20(22-10-5-4-6-11-22)30-28(35)23-12-8-13-24(18-23)29-19-26(33)31-25-14-7-9-21(17-25)15-16-27(34)32(2)3/h4-14,17-18,20,29H,15-16,19H2,1-3H3,(H,30,35)(H,31,33)
InChIKeyHNRDXRBGPQVLSP-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

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Related Compounds

4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54845526
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833387
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54811009
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54841395) is 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NCC(=O)Nc2cccc(CCC(=O)N(C)C)c2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is HNRDXRBGPQVLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20(22-10-5-4-6-11-22)30-28(35)23-12-8-13-24(18-23)29-19-26(33)31-25-14-7-9-21(17-25)15-16-27(34)32(2)3/h4-14,17-18,20,29H,15-16,19H2,1-3H3,(H,30,35)(H,31,33).
What are the key properties of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]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 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54841395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).