N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide

C15H24N2O — CID 119529676

IUPACN-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)10-9-14(18)17-11-13(16)12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3,(H,17,18)
InChIKeyXDFSUDLPJZECTN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide

N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide (PubChem CID 119529676) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
PubChem CID119529676
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)10-9-14(18)17-11-13(16)12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3,(H,17,18)
InChIKeyXDFSUDLPJZECTN-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide (CID 119529676) is N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide?
The InChIKey is XDFSUDLPJZECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)10-9-14(18)17-11-13(16)12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide?
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 119529676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).