N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide

C15H22ClNO — CID 115364619

IUPACN-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(C)(C)CCl)cc1
InChIInChI=1S/C15H22ClNO/c1-12-4-6-13(7-5-12)8-9-14(18)17-11-15(2,3)10-16/h4-7H,8-11H2,1-3H3,(H,17,18)
InChIKeyABBSGOVSIQMCHK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.31
Rot. Bonds6

About N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide

N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide (PubChem CID 115364619) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
PubChem CID115364619
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(C)(C)CCl)cc1
InChIInChI=1S/C15H22ClNO/c1-12-4-6-13(7-5-12)8-9-14(18)17-11-15(2,3)10-16/h4-7H,8-11H2,1-3H3,(H,17,18)
InChIKeyABBSGOVSIQMCHK-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772275
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide (CID 115364619) is N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(C)(C)CCl)cc1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide?
The InChIKey is ABBSGOVSIQMCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-4-6-13(7-5-12)8-9-14(18)17-11-15(2,3)10-16/h4-7H,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide?
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide has a molecular weight of 267.80 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 115364619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).