(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride

C20H27ClN2O2 — CID 119810569

IUPAC(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride
SMILESCc1c(COc2ccccc2)cccc1NC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14(2)12-18(21)20(23)22-19-11-7-8-16(15(19)3)13-24-17-9-5-4-6-10-17;/h4-11,14,18H,12-13,21H2,1-3H3,(H,22,23);1H/t18-;/m0./s1
InChIKeyIHWFLZRWESHBQE-FERBBOLQSA-N
MW362.90 g/mol
LogP4.31
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride (PubChem CID 119810569) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride
PubChem CID119810569
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride
SMILESCc1c(COc2ccccc2)cccc1NC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14(2)12-18(21)20(23)22-19-11-7-8-16(15(19)3)13-24-17-9-5-4-6-10-17;/h4-11,14,18H,12-13,21H2,1-3H3,(H,22,23);1H/t18-;/m0./s1
InChIKeyIHWFLZRWESHBQE-FERBBOLQSA-N
XLogP4.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120795542
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
CID 71865833
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-(cyclopropylmethylamino)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide
CID 119810548
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride (CID 119810569) is (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride is Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is IHWFLZRWESHBQE-FERBBOLQSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-14(2)12-18(21)20(23)22-19-11-7-8-16(15(19)3)13-24-17-9-5-4-6-10-17;/h4-11,14,18H,12-13,21H2,1-3H3,(H,22,23);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.31, 7 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-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119810569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).