4-phenyl-2-(propan-2-ylamino)butanamide

C13H20N2O — CID 62881281

IUPAC4-phenyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-10(2)15-12(13(14)16)9-8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyVEHDFQPTKBMQIC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds6

About 4-phenyl-2-(propan-2-ylamino)butanamide

4-phenyl-2-(propan-2-ylamino)butanamide (PubChem CID 62881281) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-phenyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-phenyl-2-(propan-2-ylamino)butanamide
PubChem CID62881281
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-phenyl-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-10(2)15-12(13(14)16)9-8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyVEHDFQPTKBMQIC-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
2-acetamido-4-phenylbutanamide
CID 67451841
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
2-methyl-4-phenylbutanoic acid
CID 66896591
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
(2S)-4-phenylbutan-2-amine
CID 6994564
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 10850225
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
CID 22042507
2-(1,3-diphenylpropylamino)propanamide
CID 70078545

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-phenyl-2-(propan-2-ylamino)butanamide (CID 62881281) is 4-phenyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-phenyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-phenyl-2-(propan-2-ylamino)butanamide is CC(C)NC(CCc1ccccc1)C(N)=O.
What is the InChIKey of 4-phenyl-2-(propan-2-ylamino)butanamide?
The InChIKey is VEHDFQPTKBMQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15-12(13(14)16)9-8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-phenyl-2-(propan-2-ylamino)butanamide?
4-phenyl-2-(propan-2-ylamino)butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 62881281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).