ethane;(2S)-2-(methylamino)-4-phenylbutanamide

C13H22N2O — CID 142110580

IUPACethane;(2S)-2-(methylamino)-4-phenylbutanamide
SMILESCC.CN[C@@H](CCc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O.C2H6/c1-13-10(11(12)14)8-7-9-5-3-2-4-6-9;1-2/h2-6,10,13H,7-8H2,1H3,(H2,12,14);1-2H3/t10-;/m0./s1
InChIKeyQHTWENYAAGEIOH-PPHPATTJSA-N
MW222.33 g/mol
LogP1.72
Rot. Bonds5

About ethane;(2S)-2-(methylamino)-4-phenylbutanamide

ethane;(2S)-2-(methylamino)-4-phenylbutanamide (PubChem CID 142110580) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;(2S)-2-(methylamino)-4-phenylbutanamide.

Molecular Properties

Compound Nameethane;(2S)-2-(methylamino)-4-phenylbutanamide
PubChem CID142110580
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;(2S)-2-(methylamino)-4-phenylbutanamide
SMILESCC.CN[C@@H](CCc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O.C2H6/c1-13-10(11(12)14)8-7-9-5-3-2-4-6-9;1-2/h2-6,10,13H,7-8H2,1H3,(H2,12,14);1-2H3/t10-;/m0./s1
InChIKeyQHTWENYAAGEIOH-PPHPATTJSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851
2-acetamido-4-phenylbutanamide
CID 67451841
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
2-(2-phenylethyl)propanediamide
CID 66660020
2-methyl-4-phenylbutanoic acid
CID 66896591
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
2,5-bis(methylamino)hexanediamide
CID 66221520
4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide
CID 18513137
(2S)-2-[[(2R)-2-(methylamino)-3-phosphanylpropanoyl]amino]-3-phenylpropanamide
CID 118910669

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-(methylamino)-4-phenylbutanamide?
The IUPAC name of ethane;(2S)-2-(methylamino)-4-phenylbutanamide (CID 142110580) is ethane;(2S)-2-(methylamino)-4-phenylbutanamide.
What is the SMILES notation for ethane;(2S)-2-(methylamino)-4-phenylbutanamide?
The canonical SMILES for ethane;(2S)-2-(methylamino)-4-phenylbutanamide is CC.CN[C@@H](CCc1ccccc1)C(N)=O.
What is the InChIKey of ethane;(2S)-2-(methylamino)-4-phenylbutanamide?
The InChIKey is QHTWENYAAGEIOH-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-13-10(11(12)14)8-7-9-5-3-2-4-6-9;1-2/h2-6,10,13H,7-8H2,1H3,(H2,12,14);1-2H3/t10-;/m0./s1.
What are the key properties of ethane;(2S)-2-(methylamino)-4-phenylbutanamide?
ethane;(2S)-2-(methylamino)-4-phenylbutanamide has a molecular weight of 222.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-(methylamino)-4-phenylbutanamide is sourced from PubChem (CID 142110580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).