(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide

C13H20N2O — CID 61146836

IUPAC(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@H](C)N)c(C)c1
InChIInChI=1S/C13H20N2O/c1-8-5-6-12(9(2)7-8)11(4)15-13(16)10(3)14/h5-7,10-11H,14H2,1-4H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyIBEILLPMMGJQEM-VUWPPUDQSA-N
MW220.32 g/mol
LogP1.83
Rot. Bonds3

About (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide

(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide (PubChem CID 61146836) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
PubChem CID61146836
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@H](C)N)c(C)c1
InChIInChI=1S/C13H20N2O/c1-8-5-6-12(9(2)7-8)11(4)15-13(16)10(3)14/h5-7,10-11H,14H2,1-4H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyIBEILLPMMGJQEM-VUWPPUDQSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
CID 54862017
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119716655
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide (CID 61146836) is (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)[C@H](C)N)c(C)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is IBEILLPMMGJQEM-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-5-6-12(9(2)7-8)11(4)15-13(16)10(3)14/h5-7,10-11H,14H2,1-4H3,(H,15,16)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide?
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 61146836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).