2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide

C13H20N2O — CID 81375406

IUPAC2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
SMILESCCC(N[C@H](C)c1ccccc1C)C(N)=O
InChIInChI=1S/C13H20N2O/c1-4-12(13(14)16)15-10(3)11-8-6-5-7-9(11)2/h5-8,10,12,15H,4H2,1-3H3,(H2,14,16)/t10-,12?/m1/s1
InChIKeySTWXCJXNMMLRBT-RWANSRKNSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds5

About 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide

2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide (PubChem CID 81375406) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
PubChem CID81375406
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
SMILESCCC(N[C@H](C)c1ccccc1C)C(N)=O
InChIInChI=1S/C13H20N2O/c1-4-12(13(14)16)15-10(3)11-8-6-5-7-9(11)2/h5-8,10,12,15H,4H2,1-3H3,(H2,14,16)/t10-,12?/m1/s1
InChIKeySTWXCJXNMMLRBT-RWANSRKNSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]butanamide
CID 62899850
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
2-(1-phenylethylamino)butanamide
CID 62899453
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81374015
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
CID 174318100
(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
CID 95624526

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide?
The IUPAC name of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide (CID 81375406) is 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide.
What is the SMILES notation for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide?
The canonical SMILES for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide is CCC(N[C@H](C)c1ccccc1C)C(N)=O.
What is the InChIKey of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide?
The InChIKey is STWXCJXNMMLRBT-RWANSRKNSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(13(14)16)15-10(3)11-8-6-5-7-9(11)2/h5-8,10,12,15H,4H2,1-3H3,(H2,14,16)/t10-,12?/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide?
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide is sourced from PubChem (CID 81375406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).