3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide

C15H22ClNO — CID 115162579

IUPAC3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)cc1CN(C)C(=O)CCCl
InChIInChI=1S/C15H22ClNO/c1-11(2)13-6-5-12(3)14(9-13)10-17(4)15(18)7-8-16/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyLVKLSFYYHCYIRU-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.71
Rot. Bonds5

About 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide

3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide (PubChem CID 115162579) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
PubChem CID115162579
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)cc1CN(C)C(=O)CCCl
InChIInChI=1S/C15H22ClNO/c1-11(2)13-6-5-12(3)14(9-13)10-17(4)15(18)7-8-16/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyLVKLSFYYHCYIRU-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.71
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

N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175799
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]carbamothioic S-acid
CID 115170441
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
3-methyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butanoic acid
CID 116930702
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide (CID 115162579) is 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide is Cc1ccc(C(C)C)cc1CN(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is LVKLSFYYHCYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)13-6-5-12(3)14(9-13)10-17(4)15(18)7-8-16/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 267.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 115162579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).