4-amino-3-methyl-N-(2-phenylethyl)butanamide

C13H20N2O — CID 81070116

IUPAC4-amino-3-methyl-N-(2-phenylethyl)butanamide
SMILESCC(CN)CC(=O)NCCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-11(10-14)9-13(16)15-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3,(H,15,16)
InChIKeyXIWIDKZXGJVXCW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds6

About 4-amino-3-methyl-N-(2-phenylethyl)butanamide

4-amino-3-methyl-N-(2-phenylethyl)butanamide (PubChem CID 81070116) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-phenylethyl)butanamide
PubChem CID81070116
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-amino-3-methyl-N-(2-phenylethyl)butanamide
SMILESCC(CN)CC(=O)NCCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-11(10-14)9-13(16)15-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3,(H,15,16)
InChIKeyXIWIDKZXGJVXCW-UHFFFAOYSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide
CID 81079820
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581
(3S)-5-methyl-3-[2-oxo-2-(2-phenylethylamino)ethyl]hexanoic acid
CID 126509470
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(2-phenylethyl)butanamide (CID 81070116) is 4-amino-3-methyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-phenylethyl)butanamide is CC(CN)CC(=O)NCCc1ccccc1.
What is the InChIKey of 4-amino-3-methyl-N-(2-phenylethyl)butanamide?
The InChIKey is XIWIDKZXGJVXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(10-14)9-13(16)15-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-(2-phenylethyl)butanamide?
4-amino-3-methyl-N-(2-phenylethyl)butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 81070116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).