4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide

C21H26N4O3 — CID 54840845

IUPAC4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-13-22-20(27)15-5-11-18(12-6-15)24-19(26)14-23-17-9-7-16(8-10-17)21(28)25(2)3/h5-12,23H,4,13-14H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyLKLRIROPRYAGRF-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.58
Rot. Bonds8

About 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide

4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide (PubChem CID 54840845) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
PubChem CID54840845
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-13-22-20(27)15-5-11-18(12-6-15)24-19(26)14-23-17-9-7-16(8-10-17)21(28)25(2)3/h5-12,23H,4,13-14H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyLKLRIROPRYAGRF-UHFFFAOYSA-N
XLogP2.58
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide (CID 54840845) is 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide?
The InChIKey is LKLRIROPRYAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-13-22-20(27)15-5-11-18(12-6-15)24-19(26)14-23-17-9-7-16(8-10-17)21(28)25(2)3/h5-12,23H,4,13-14H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide?
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54840845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).