(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide

C14H22N2O2 — CID 107145312

IUPAC(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)c1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-5-9-13(15)14(17)16(2)11-7-6-8-12(10-11)18-3/h6-8,10,13H,4-5,9,15H2,1-3H3/t13-/m0/s1
InChIKeyAFDUIRORMWXHIL-ZDUSSCGKSA-N
MW250.34 g/mol
LogP2.18
Rot. Bonds6

About (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide

(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide (PubChem CID 107145312) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
PubChem CID107145312
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)c1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-5-9-13(15)14(17)16(2)11-7-6-8-12(10-11)18-3/h6-8,10,13H,4-5,9,15H2,1-3H3/t13-/m0/s1
InChIKeyAFDUIRORMWXHIL-ZDUSSCGKSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide
CID 62003392
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
(2R)-2-amino-N-methyl-N-(3-methylphenyl)pentanamide
CID 103794882
(2S)-2-amino-N-(2-methoxyphenyl)-N-methylhexanamide
CID 103831499
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide
CID 54006663
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide (CID 107145312) is (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)c1cccc(OC)c1.
What is the InChIKey of (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide?
The InChIKey is AFDUIRORMWXHIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-9-13(15)14(17)16(2)11-7-6-8-12(10-11)18-3/h6-8,10,13H,4-5,9,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide?
(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide has a molecular weight of 250.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide is sourced from PubChem (CID 107145312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).