(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide

C15H24N2O2S — CID 104907794

IUPAC(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCSC
InChIInChI=1S/C15H24N2O2S/c1-4-17(15(18)14(16)9-10-20-3)11-12-5-7-13(19-2)8-6-12/h5-8,14H,4,9-11,16H2,1-3H3/t14-/m1/s1
InChIKeyAACGDSMDUHZTJZ-CQSZACIVSA-N
MW296.44 g/mol
LogP2.12
Rot. Bonds8

About (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide (PubChem CID 104907794) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
PubChem CID104907794
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCSC
InChIInChI=1S/C15H24N2O2S/c1-4-17(15(18)14(16)9-10-20-3)11-12-5-7-13(19-2)8-6-12/h5-8,14H,4,9-11,16H2,1-3H3/t14-/m1/s1
InChIKeyAACGDSMDUHZTJZ-CQSZACIVSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
(4-methoxyphenyl)methyl 2-amino-4-methylsulfanylbutanoate
CID 61302709
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylsulfanylbutanamide
CID 104907715
2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 65227293
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
(2R)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104906757
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 119334134
(2S)-2-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119304508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide (CID 104907794) is (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide is CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is AACGDSMDUHZTJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17(15(18)14(16)9-10-20-3)11-12-5-7-13(19-2)8-6-12/h5-8,14H,4,9-11,16H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 296.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).