2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide

C17H25ClN2O — CID 119769979

IUPAC2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H25ClN2O/c1-3-9-16(2,19)15(21)20-12-17(10-4-11-17)13-5-7-14(18)8-6-13/h5-8H,3-4,9-12,19H2,1-2H3,(H,20,21)
InChIKeyKFAWVXRHKNEDGF-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.40
Rot. Bonds6

About 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide

2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide (PubChem CID 119769979) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
PubChem CID119769979
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H25ClN2O/c1-3-9-16(2,19)15(21)20-12-17(10-4-11-17)13-5-7-14(18)8-6-13/h5-8H,3-4,9-12,19H2,1-2H3,(H,20,21)
InChIKeyKFAWVXRHKNEDGF-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylpentanamide;hydrochloride
CID 119749451
2-amino-2-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119699195
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
CID 119772788
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
1-[[(2-amino-2-methylpentanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311179
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
CID 119800186
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119769965
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide (CID 119769979) is 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide?
The InChIKey is KFAWVXRHKNEDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-9-16(2,19)15(21)20-12-17(10-4-11-17)13-5-7-14(18)8-6-13/h5-8H,3-4,9-12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide?
2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide has a molecular weight of 308.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide is sourced from PubChem (CID 119769979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).