(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide

C14H22N2O2 — CID 93367197

IUPAC(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-6-13(15)14(17)16(2)10-11-7-5-8-12(9-11)18-3/h5,7-9,13H,4,6,10,15H2,1-3H3/t13-/m0/s1
InChIKeyZTVGWOINLMDOLQ-ZDUSSCGKSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds6

About (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide

(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide (PubChem CID 93367197) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
PubChem CID93367197
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-6-13(15)14(17)16(2)10-11-7-5-8-12(9-11)18-3/h5,7-9,13H,4,6,10,15H2,1-3H3/t13-/m0/s1
InChIKeyZTVGWOINLMDOLQ-ZDUSSCGKSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
CID 119344793
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide (CID 93367197) is (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
The InChIKey is ZTVGWOINLMDOLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-6-13(15)14(17)16(2)10-11-7-5-8-12(9-11)18-3/h5,7-9,13H,4,6,10,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 1.78, 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)methyl]-N-methylpentanamide is sourced from PubChem (CID 93367197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).