(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride

C19H25ClN2O2 — CID 119296786

IUPAC(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCc1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(2)18(20)19(22)21-12-16-10-6-7-11-17(16)23-13-15-8-4-3-5-9-15;/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22);1H/t18-;/m0./s1
InChIKeyLBFDJUUYSYJITM-FERBBOLQSA-N
MW348.87 g/mol
LogP3.29
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride

(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride (PubChem CID 119296786) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
PubChem CID119296786
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCc1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(2)18(20)19(22)21-12-16-10-6-7-11-17(16)23-13-15-8-4-3-5-9-15;/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22);1H/t18-;/m0./s1
InChIKeyLBFDJUUYSYJITM-FERBBOLQSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
CID 51123622
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-[2-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]acetic acid
CID 81318494
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
CID 60618262
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride (CID 119296786) is (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride is CC(C)[C@H](N)C(=O)NCc1ccccc1OCc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride?
The InChIKey is LBFDJUUYSYJITM-FERBBOLQSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14(2)18(20)19(22)21-12-16-10-6-7-11-17(16)23-13-15-8-4-3-5-9-15;/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride?
(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119296786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).