methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate

C23H29N3O4 — CID 54816864

IUPACmethyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-4-14-26(15-5-2)22(28)17-6-12-20(13-7-17)25-21(27)16-24-19-10-8-18(9-11-19)23(29)30-3/h6-13,24H,4-5,14-16H2,1-3H3,(H,25,27)
InChIKeyCJBQPKZKVCGGCH-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.79
Rot. Bonds10

About methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate

methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate (PubChem CID 54816864) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
PubChem CID54816864
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Namemethyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-4-14-26(15-5-2)22(28)17-6-12-20(13-7-17)25-21(27)16-24-19-10-8-18(9-11-19)23(29)30-3/h6-13,24H,4-5,14-16H2,1-3H3,(H,25,27)
InChIKeyCJBQPKZKVCGGCH-UHFFFAOYSA-N
XLogP3.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54817414
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-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54831987

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate (CID 54816864) is methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
The InChIKey is CJBQPKZKVCGGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-14-26(15-5-2)22(28)17-6-12-20(13-7-17)25-21(27)16-24-19-10-8-18(9-11-19)23(29)30-3/h6-13,24H,4-5,14-16H2,1-3H3,(H,25,27).
What are the key properties of methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate?
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate has a molecular weight of 411.50 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 54816864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).