4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide

C13H18ClNO2 — CID 158982975

IUPAC4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide
SMILESCON(C)C(=O)CC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(9-13(16)15(2)17-3)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyAPGCINBBRDZJRW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.93
Rot. Bonds5

About 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide

4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide (PubChem CID 158982975) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide
PubChem CID158982975
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide
SMILESCON(C)C(=O)CC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(9-13(16)15(2)17-3)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyAPGCINBBRDZJRW-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-1-(4-chlorophenyl)-4-[methoxy(methyl)amino]-4-oxobutan-2-yl]carbamate
CID 126652374
2-[(4-chlorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide
CID 55027594
methyl 4-(4-chlorophenyl)-3-methyl-2-oxobutanoate
CID 123596283
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl 1-[[(2S)-3-(4-chlorophenyl)-2-methylpropyl]-methylamino]cyclobutane-1-carboxylate
CID 170197388
ethyl 3-[[(4S)-5-(4-chlorophenyl)-4-methyl-2-oxopentyl]amino]-3-oxopropanoate
CID 162242114
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
methyl 3-chloro-4-(4-chlorophenyl)butanoate
CID 82352044
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
CID 174111719
CID 174111719
4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83931157

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide (CID 158982975) is 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide is CON(C)C(=O)CC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide?
The InChIKey is APGCINBBRDZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(9-13(16)15(2)17-3)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide?
4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide has a molecular weight of 255.75 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 158982975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).