2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide

C15H22ClNO2 — CID 5463823

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide
SMILESCCC(Cl)C(=O)N(c1ccccc1C)C(C)COC
InChIInChI=1S/C15H22ClNO2/c1-5-13(16)15(18)17(12(3)10-19-4)14-9-7-6-8-11(14)2/h6-9,12-13H,5,10H2,1-4H3
InChIKeyOCVVQBMXMDRJIN-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.38
Rot. Bonds6

About 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide

2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide (PubChem CID 5463823) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide
PubChem CID5463823
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide
SMILESCCC(Cl)C(=O)N(c1ccccc1C)C(C)COC
InChIInChI=1S/C15H22ClNO2/c1-5-13(16)15(18)17(12(3)10-19-4)14-9-7-6-8-11(14)2/h6-9,12-13H,5,10H2,1-4H3
InChIKeyOCVVQBMXMDRJIN-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide (CID 5463823) is 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide is CCC(Cl)C(=O)N(c1ccccc1C)C(C)COC.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide?
The InChIKey is OCVVQBMXMDRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-5-13(16)15(18)17(12(3)10-19-4)14-9-7-6-8-11(14)2/h6-9,12-13H,5,10H2,1-4H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide?
2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide has a molecular weight of 283.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 5463823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).