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

C12H18N2O — CID 61147129

IUPAC(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C12H18N2O/c1-8-4-6-11(7-5-8)10(3)14-12(15)9(2)13/h4-7,9-10H,13H2,1-3H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyQGOGCHYQMFPQPY-RGURZIINSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds3

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

(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide (PubChem CID 61147129) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
PubChem CID61147129
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C12H18N2O/c1-8-4-6-11(7-5-8)10(3)14-12(15)9(2)13/h4-7,9-10H,13H2,1-3H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyQGOGCHYQMFPQPY-RGURZIINSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide (CID 61147129) is (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is QGOGCHYQMFPQPY-RGURZIINSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-4-6-11(7-5-8)10(3)14-12(15)9(2)13/h4-7,9-10H,13H2,1-3H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide?
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.52, 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-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 61147129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).