4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide

C13H20N2O — CID 70328531

IUPAC4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(CN)CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(9-14)8-13(16)15-11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9,14H2,1-2H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyLCZVLFJCPUSWLZ-DTIOYNMSSA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds5

About 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide

4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 70328531) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID70328531
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(CN)CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(9-14)8-13(16)15-11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9,14H2,1-2H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyLCZVLFJCPUSWLZ-DTIOYNMSSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
CID 81080405
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
CID 7321191
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
(3S)-3-methyl-4-nitro-N-[(1S)-1-phenylethyl]butanamide
CID 143172881
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
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-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 70328531) is 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide is CC(CN)CC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is LCZVLFJCPUSWLZ-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(9-14)8-13(16)15-11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9,14H2,1-2H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of 4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.85, 5 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-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 70328531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).