2-amino-N-methyl-3-phenylbutanamide

C11H16N2O — CID 70068325

IUPAC2-amino-N-methyl-3-phenylbutanamide
SMILESCNC(=O)C(N)C(C)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-8(10(12)11(14)13-2)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3,(H,13,14)
InChIKeyLCZDRFFAOAIDBT-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-N-methyl-3-phenylbutanamide

2-amino-N-methyl-3-phenylbutanamide (PubChem CID 70068325) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-3-phenylbutanamide
PubChem CID70068325
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-N-methyl-3-phenylbutanamide
SMILESCNC(=O)C(N)C(C)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-8(10(12)11(14)13-2)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3,(H,13,14)
InChIKeyLCZDRFFAOAIDBT-UHFFFAOYSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-methyl-2-phenylacetamide;hydrochloride
CID 68552126
(2R,3S)-2-amino-3-phenylbutanethioic S-acid;hydrate;hydrochloride
CID 121216127
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
CID 15177727
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
CID 56956524
(1S)-1-amino-2-phenylpropan-1-ol
CID 130442875
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
2-hydrazinyl-3-phenylbutanoic acid
CID 55280832
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-phenylbutanamide?
The IUPAC name of 2-amino-N-methyl-3-phenylbutanamide (CID 70068325) is 2-amino-N-methyl-3-phenylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-3-phenylbutanamide?
The canonical SMILES for 2-amino-N-methyl-3-phenylbutanamide is CNC(=O)C(N)C(C)c1ccccc1.
What is the InChIKey of 2-amino-N-methyl-3-phenylbutanamide?
The InChIKey is LCZDRFFAOAIDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(10(12)11(14)13-2)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-methyl-3-phenylbutanamide?
2-amino-N-methyl-3-phenylbutanamide has a molecular weight of 192.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 70068325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).