(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride

C20H27ClN2O2 — CID 119712185

IUPAC(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)12-19(21)20(23)22-13-16-8-10-18(11-9-16)24-14-17-6-4-3-5-7-17;/h3-11,15,19H,12-14,21H2,1-2H3,(H,22,23);1H/t19-;/m0./s1
InChIKeySZYLMOLXJIYNNY-FYZYNONXSA-N
MW362.90 g/mol
LogP3.68
Rot. Bonds8

About (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119712185) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
PubChem CID119712185
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)12-19(21)20(23)22-13-16-8-10-18(11-9-16)24-14-17-6-4-3-5-7-17;/h3-11,15,19H,12-14,21H2,1-2H3,(H,22,23);1H/t19-;/m0./s1
InChIKeySZYLMOLXJIYNNY-FYZYNONXSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 67578288
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
2-amino-4-methylsulfonyl-N-[[4-(phenoxymethyl)phenyl]methyl]butanamide
CID 119956525
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
tert-butyl (2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 57152503
2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide
CID 70124186
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119699251
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride (CID 119712185) is (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCc1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is SZYLMOLXJIYNNY-FYZYNONXSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-15(2)12-19(21)20(23)22-13-16-8-10-18(11-9-16)24-14-17-6-4-3-5-7-17;/h3-11,15,19H,12-14,21H2,1-2H3,(H,22,23);1H/t19-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119712185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).