3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide

C15H22ClNO — CID 63681333

IUPAC3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)(C)CCl)cc1
InChIInChI=1S/C15H22ClNO/c1-11-6-8-13(9-7-11)12(2)17(5)14(18)15(3,4)10-16/h6-9,12H,10H2,1-5H3
InChIKeyDPWFMCNMVDRGQV-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.78
Rot. Bonds4

About 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide

3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide (PubChem CID 63681333) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
PubChem CID63681333
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)C(C)(C)CCl)cc1
InChIInChI=1S/C15H22ClNO/c1-11-6-8-13(9-7-11)12(2)17(5)14(18)15(3,4)10-16/h6-9,12H,10H2,1-5H3
InChIKeyDPWFMCNMVDRGQV-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334
N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
CID 63681322
N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide
CID 99837862
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
CID 112725740
N-methyl-2-(methylamino)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 62637498
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 55141055
3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide
CID 63665899
2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 114997863

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide (CID 63681333) is 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide is Cc1ccc(C(C)N(C)C(=O)C(C)(C)CCl)cc1.
What is the InChIKey of 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is DPWFMCNMVDRGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-6-8-13(9-7-11)12(2)17(5)14(18)15(3,4)10-16/h6-9,12H,10H2,1-5H3.
What are the key properties of 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide?
3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 267.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 63681333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).