(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide

C15H23NO2 — CID 58555143

IUPAC(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
SMILESCC[C@@H](c1cccc(OC)c1)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C15H23NO2/c1-6-14(11(2)15(17)16(3)4)12-8-7-9-13(10-12)18-5/h7-11,14H,6H2,1-5H3/t11-,14+/m0/s1
InChIKeyNEGIXZFBTSZPII-SMDDNHRTSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds5

About (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide

(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide (PubChem CID 58555143) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide.

Molecular Properties

Compound Name(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
PubChem CID58555143
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
SMILESCC[C@@H](c1cccc(OC)c1)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C15H23NO2/c1-6-14(11(2)15(17)16(3)4)12-8-7-9-13(10-12)18-5/h7-11,14H,6H2,1-5H3/t11-,14+/m0/s1
InChIKeyNEGIXZFBTSZPII-SMDDNHRTSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide
CID 118204455
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride
CID 69414661
2-(3-methoxyphenoxy)-N,N-dimethylbutanamide
CID 46778420
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
CID 140960898
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675083
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
[(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]-dimethylazanium
CID 86313247
(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide?
The IUPAC name of (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide (CID 58555143) is (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide.
What is the SMILES notation for (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide?
The canonical SMILES for (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide is CC[C@@H](c1cccc(OC)c1)[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide?
The InChIKey is NEGIXZFBTSZPII-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-14(11(2)15(17)16(3)4)12-8-7-9-13(10-12)18-5/h7-11,14H,6H2,1-5H3/t11-,14+/m0/s1.
What are the key properties of (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide?
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide is sourced from PubChem (CID 58555143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).