N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide

C29H34N4O3 — CID 54842373

IUPACN-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C29H34N4O3/c1-4-16-33(17-5-2)29(36)23-10-7-11-26(19-23)31-27(34)20-30-24-12-14-25(15-13-24)32-28(35)22-9-6-8-21(3)18-22/h6-15,18-19,30H,4-5,16-17,20H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyJSXBSFUHGCOFAK-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.56
Rot. Bonds11

About N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide

N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide (PubChem CID 54842373) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
PubChem CID54842373
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C29H34N4O3/c1-4-16-33(17-5-2)29(36)23-10-7-11-26(19-23)31-27(34)20-30-24-12-14-25(15-13-24)32-28(35)22-9-6-8-21(3)18-22/h6-15,18-19,30H,4-5,16-17,20H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyJSXBSFUHGCOFAK-UHFFFAOYSA-N
XLogP5.56
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide (CID 54842373) is N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(NC(=O)c3cccc(C)c3)cc2)c1.
What is the InChIKey of N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide?
The InChIKey is JSXBSFUHGCOFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-4-16-33(17-5-2)29(36)23-10-7-11-26(19-23)31-27(34)20-30-24-12-14-25(15-13-24)32-28(35)22-9-6-8-21(3)18-22/h6-15,18-19,30H,4-5,16-17,20H2,1-3H3,(H,31,34)(H,32,35).
What are the key properties of N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide?
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide has a molecular weight of 486.62 g/mol, XLogP of 5.56, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 54842373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).