2-amino-4-phenyl-N-propan-2-ylbutanamide

C13H20N2O — CID 114924577

IUPAC2-amino-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)15-13(16)12(14)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDXHFZPWKTPLGCW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-4-phenyl-N-propan-2-ylbutanamide

2-amino-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 114924577) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-propan-2-ylbutanamide
PubChem CID114924577
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)15-13(16)12(14)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDXHFZPWKTPLGCW-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 114928414
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
(2S)-2-amino-N-(4-methylsulfinylbutan-2-yl)-4-phenylbutanamide
CID 104984835
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-4-phenyl-N-propan-2-ylbutanamide (CID 114924577) is 2-amino-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-4-phenyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is DXHFZPWKTPLGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15-13(16)12(14)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-4-phenyl-N-propan-2-ylbutanamide?
2-amino-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 114924577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).