N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide

C17H25ClN2O — CID 91834471

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(C)CC2CCC2)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-12-9-13(2)17(15(18)10-12)19-16(21)7-8-20(3)11-14-5-4-6-14/h9-10,14H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyUTIYBEUDKMTHOM-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.02
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide (PubChem CID 91834471) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
PubChem CID91834471
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(C)CC2CCC2)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-12-9-13(2)17(15(18)10-12)19-16(21)7-8-20(3)11-14-5-4-6-14/h9-10,14H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyUTIYBEUDKMTHOM-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 62861624
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136366
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
2-[acetyl(cycloheptyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113166376
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119930334
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide (CID 91834471) is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide is Cc1cc(C)c(NC(=O)CCN(C)CC2CCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
The InChIKey is UTIYBEUDKMTHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-9-13(2)17(15(18)10-12)19-16(21)7-8-20(3)11-14-5-4-6-14/h9-10,14H,4-8,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide has a molecular weight of 308.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 91834471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).