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

C22H29N3O3 — CID 54817414

IUPAC4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)17-10-12-18(13-11-17)24-21(26)16-23-19-8-6-7-9-20(19)28-3/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyQAIXMSKKJKPPNS-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.01
Rot. Bonds10

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

4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54817414) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54817414
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)17-10-12-18(13-11-17)24-21(26)16-23-19-8-6-7-9-20(19)28-3/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyQAIXMSKKJKPPNS-UHFFFAOYSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54815933
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811628
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832376
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54817414) is 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccccc2OC)cc1.
What is the InChIKey of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is QAIXMSKKJKPPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)17-10-12-18(13-11-17)24-21(26)16-23-19-8-6-7-9-20(19)28-3/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26).
What are the key properties of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54817414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).