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

C14H21NO — CID 100801997

IUPACN-(2,2-dimethylpropyl)-3-phenylpropanamide
SMILESCC(C)(C)CNC(=O)CCc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)11-15-13(16)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyWGQZVWCVXADOOK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds4

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

N-(2,2-dimethylpropyl)-3-phenylpropanamide (PubChem CID 100801997) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-phenylpropanamide
PubChem CID100801997
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2,2-dimethylpropyl)-3-phenylpropanamide
SMILESCC(C)(C)CNC(=O)CCc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)11-15-13(16)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyWGQZVWCVXADOOK-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
3-hydroxy-3-methyl-4-(3-phenylpropanoylamino)butanoic acid
CID 66001727
N-[2-(chloromethyl)-2-ethylbutyl]-3-phenylpropanamide
CID 106253806
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-(2-bromo-4,4-dimethylpentyl)-3-phenylpropanamide
CID 107156726
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-phenylpropanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-phenylpropanamide (CID 100801997) is N-(2,2-dimethylpropyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-phenylpropanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-phenylpropanamide is CC(C)(C)CNC(=O)CCc1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-phenylpropanamide?
The InChIKey is WGQZVWCVXADOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)11-15-13(16)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-3-phenylpropanamide?
N-(2,2-dimethylpropyl)-3-phenylpropanamide has a molecular weight of 219.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 100801997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).