3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide

C22H26ClN3O2 — CID 56581609

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H26ClN3O2/c1-26(16-17-6-3-2-4-7-17)21(28)24-15-12-20(27)25-22(13-5-14-22)18-8-10-19(23)11-9-18/h2-4,6-11H,5,12-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyKNNGOHYCHYXLNG-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.07
Rot. Bonds7

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide (PubChem CID 56581609) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide
PubChem CID56581609
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H26ClN3O2/c1-26(16-17-6-3-2-4-7-17)21(28)24-15-12-20(27)25-22(13-5-14-22)18-8-10-19(23)11-9-18/h2-4,6-11H,5,12-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyKNNGOHYCHYXLNG-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-chlorophenyl)cyclobutyl]propanamide
CID 166222378
1-benzyl-3-[1-[(4-chlorophenyl)methyl]cyclobutyl]-1-methylurea
CID 166317860
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 56553427
methyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 56515220
N-[1-(4-chlorophenyl)cyclobutyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 118787947
N-[1-(4-chlorophenyl)cyclopropyl]butanamide
CID 113091058
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 56514738
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propanamide
CID 56513804

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide (CID 56581609) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide?
The InChIKey is KNNGOHYCHYXLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-26(16-17-6-3-2-4-7-17)21(28)24-15-12-20(27)25-22(13-5-14-22)18-8-10-19(23)11-9-18/h2-4,6-11H,5,12-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide has a molecular weight of 399.92 g/mol, XLogP of 4.07, 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-[1-(4-chlorophenyl)cyclobutyl]propanamide is sourced from PubChem (CID 56581609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).