(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride

C17H29ClN2O — CID 119707445

IUPAC(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-12(2)10-15(18)16(20)19-11-13-6-8-14(9-7-13)17(3,4)5;/h6-9,12,15H,10-11,18H2,1-5H3,(H,19,20);1H/t15-;/m0./s1
InChIKeyVUIOPLKQRAPUQW-RSAXXLAASA-N
MW312.89 g/mol
LogP3.40
Rot. Bonds5

About (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride (PubChem CID 119707445) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
PubChem CID119707445
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-12(2)10-15(18)16(20)19-11-13-6-8-14(9-7-13)17(3,4)5;/h6-9,12,15H,10-11,18H2,1-5H3,(H,19,20);1H/t15-;/m0./s1
InChIKeyVUIOPLKQRAPUQW-RSAXXLAASA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119699251
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119723637
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
(2S)-2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 71731531
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119691062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride (CID 119707445) is (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCc1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride?
The InChIKey is VUIOPLKQRAPUQW-RSAXXLAASA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-12(2)10-15(18)16(20)19-11-13-6-8-14(9-7-13)17(3,4)5;/h6-9,12,15H,10-11,18H2,1-5H3,(H,19,20);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119707445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).