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

C12H18N2O — CID 81360634

IUPAC3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@@H](C)NC(=O)CCN)c1
InChIInChI=1S/C12H18N2O/c1-9-4-3-5-11(8-9)10(2)14-12(15)6-7-13/h3-5,8,10H,6-7,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyLWOIEMNBEASIAX-SNVBAGLBSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds4

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

3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide (PubChem CID 81360634) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
PubChem CID81360634
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@@H](C)NC(=O)CCN)c1
InChIInChI=1S/C12H18N2O/c1-9-4-3-5-11(8-9)10(2)14-12(15)6-7-13/h3-5,8,10H,6-7,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyLWOIEMNBEASIAX-SNVBAGLBSA-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

4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81361298
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide (CID 81360634) is 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide is Cc1cccc([C@@H](C)NC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
The InChIKey is LWOIEMNBEASIAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-3-5-11(8-9)10(2)14-12(15)6-7-13/h3-5,8,10H,6-7,13H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide?
3-amino-N-[(1R)-1-(3-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-[(1R)-1-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 81360634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).