3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide

C12H18N2O — CID 81380300

IUPAC3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1[C@H](C)NC(=O)CCN
InChIInChI=1S/C12H18N2O/c1-9-5-3-4-6-11(9)10(2)14-12(15)7-8-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyOIPRLQRGGPROAS-JTQLQIEISA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide

3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide (PubChem CID 81380300) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
PubChem CID81380300
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1[C@H](C)NC(=O)CCN
InChIInChI=1S/C12H18N2O/c1-9-5-3-4-6-11(9)10(2)14-12(15)7-8-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyOIPRLQRGGPROAS-JTQLQIEISA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 115341658
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide (CID 81380300) is 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1[C@H](C)NC(=O)CCN.
What is the InChIKey of 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is OIPRLQRGGPROAS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-3-4-6-11(9)10(2)14-12(15)7-8-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 81380300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).