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

C15H24N2O2 — CID 66568463

IUPAC(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-5-17(15(18)14(16)11(2)3)10-12-7-6-8-13(9-12)19-4/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m0/s1
InChIKeyZTRUPOXJLNDBGA-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds6

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

(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 66568463) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID66568463
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-5-17(15(18)14(16)11(2)3)10-12-7-6-8-13(9-12)19-4/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m0/s1
InChIKeyZTRUPOXJLNDBGA-AWEZNQCLSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 61173742
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
CID 118204661

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide (CID 66568463) is (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide is CCN(Cc1cccc(OC)c1)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is ZTRUPOXJLNDBGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(15(18)14(16)11(2)3)10-12-7-6-8-13(9-12)19-4/h6-9,11,14H,5,10,16H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 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-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 66568463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).