(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide

C17H28N2O — CID 103793940

IUPAC(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
SMILESCCC[C@@H](N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-7-15(18)16(20)19(5)12-13-8-10-14(11-9-13)17(2,3)4/h8-11,15H,6-7,12,18H2,1-5H3/t15-/m1/s1
InChIKeyIOCFEXAPBLGCDM-OAHLLOKOSA-N
MW276.42 g/mol
LogP3.07
Rot. Bonds5

About (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide

(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide (PubChem CID 103793940) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
PubChem CID103793940
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
SMILESCCC[C@@H](N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-7-15(18)16(20)19(5)12-13-8-10-14(11-9-13)17(2,3)4/h8-11,15H,6-7,12,18H2,1-5H3/t15-/m1/s1
InChIKeyIOCFEXAPBLGCDM-OAHLLOKOSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
CID 175596193
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide (CID 103793940) is (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide is CCC[C@@H](N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide?
The InChIKey is IOCFEXAPBLGCDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-7-15(18)16(20)19(5)12-13-8-10-14(11-9-13)17(2,3)4/h8-11,15H,6-7,12,18H2,1-5H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide?
(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 103793940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).