N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide

C14H20ClNO — CID 115364651

IUPACN-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
SMILESCC(C)(CCl)CNC(=O)CCc1ccccc1
InChIInChI=1S/C14H20ClNO/c1-14(2,10-15)11-16-13(17)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)
InChIKeyLNUZVWHKZHAPNO-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.00
Rot. Bonds6

About N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide

N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide (PubChem CID 115364651) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
PubChem CID115364651
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
SMILESCC(C)(CCl)CNC(=O)CCc1ccccc1
InChIInChI=1S/C14H20ClNO/c1-14(2,10-15)11-16-13(17)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)
InChIKeyLNUZVWHKZHAPNO-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.00
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-(4-methylphenyl)propanamide
CID 115364619
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-[2-(chloromethyl)-2-ethylbutyl]-3-phenylpropanamide
CID 106253806
3-hydroxy-3-methyl-4-(3-phenylpropanoylamino)butanoic acid
CID 66001727
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-phenylpropanamide
CID 107867522
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide (CID 115364651) is N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide is CC(C)(CCl)CNC(=O)CCc1ccccc1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide?
The InChIKey is LNUZVWHKZHAPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2,10-15)11-16-13(17)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide?
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide has a molecular weight of 253.77 g/mol, XLogP of 3.00, 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-phenylpropanamide is sourced from PubChem (CID 115364651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).