4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide

C22H29N3O2 — CID 54813932

IUPAC4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-14-25(15-5-2)22(27)18-8-12-20(13-9-18)24-21(26)16-23-19-10-6-17(3)7-11-19/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyFKNAHCOVYZIUTL-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.31
Rot. Bonds9

About 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54813932) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54813932
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-14-25(15-5-2)22(27)18-8-12-20(13-9-18)24-21(26)16-23-19-10-6-17(3)7-11-19/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyFKNAHCOVYZIUTL-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811628
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54830248

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54813932) is 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is FKNAHCOVYZIUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-14-25(15-5-2)22(27)18-8-12-20(13-9-18)24-21(26)16-23-19-10-6-17(3)7-11-19/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26).
What are the key properties of 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54813932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).