3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide

C22H26ClN3O2 — CID 166222378

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-26(15-16-5-3-2-4-6-16)22(28)24-12-11-21(27)25-20-13-18(14-20)17-7-9-19(23)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyIBAIFUVHHDEVEL-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.93
Rot. Bonds7

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide (PubChem CID 166222378) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide
PubChem CID166222378
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-26(15-16-5-3-2-4-6-16)22(28)24-12-11-21(27)25-20-13-18(14-20)17-7-9-19(23)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyIBAIFUVHHDEVEL-UHFFFAOYSA-N
XLogP3.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451808
N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581428
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide
CID 56581609
methyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 56515220
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
1-[3-(4-chlorophenyl)cyclobutyl]-3-(3-phenylbutyl)urea
CID 166369476
N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119615189
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-cyclohexylpropanamide;hydroiodide
CID 110951957
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
5-[[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110662

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide (CID 166222378) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide?
The InChIKey is IBAIFUVHHDEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-26(15-16-5-3-2-4-6-16)22(28)24-12-11-21(27)25-20-13-18(14-20)17-7-9-19(23)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide has a molecular weight of 399.92 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide is sourced from PubChem (CID 166222378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).