(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide

C15H24N2O — CID 79011565

IUPAC(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
SMILESCCCCc1ccc(NC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11(2)3/h7-11,14H,4-6,16H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyWWYGDHZATQEJNQ-CQSZACIVSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds6

About (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide

(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide (PubChem CID 79011565) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
PubChem CID79011565
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
SMILESCCCCc1ccc(NC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11(2)3/h7-11,14H,4-6,16H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyWWYGDHZATQEJNQ-CQSZACIVSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(4-propylphenyl)butanamide
CID 43378687
(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692
(2S,3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 45483299
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
2-amino-3-methyl-N-[1-oxo-1-(4-propylanilino)propan-2-yl]butanamide
CID 177180405
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide (CID 79011565) is (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide is CCCCc1ccc(NC(=O)[C@H](N)C(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide?
The InChIKey is WWYGDHZATQEJNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11(2)3/h7-11,14H,4-6,16H2,1-3H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide?
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide is sourced from PubChem (CID 79011565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).