(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane

C16H27NO — CID 143606958

IUPAC(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
SMILESCC.CC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C2H6/c1-10(16)13(15)9-11-5-7-12(8-6-11)14(2,3)4;1-2/h5-8,13H,9,15H2,1-4H3;1-2H3/t13-;/m1./s1
InChIKeyRBKRUAGUBNRKHM-BTQNPOSSSA-N
MW249.40 g/mol
LogP3.47
Rot. Bonds3

About (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane

(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane (PubChem CID 143606958) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane.

Molecular Properties

Compound Name(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
PubChem CID143606958
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
SMILESCC.CC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO.C2H6/c1-10(16)13(15)9-11-5-7-12(8-6-11)14(2,3)4;1-2/h5-8,13H,9,15H2,1-4H3;1-2H3/t13-;/m1./s1
InChIKeyRBKRUAGUBNRKHM-BTQNPOSSSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223
3-amino-4-(4-hydroxysulfanylphenyl)butan-2-one
CID 177242205
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(3R)-3-amino-4-(4-isocyanophenyl)butan-2-one
CID 59654119
2-amino-3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
CID 117115182
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane?
The IUPAC name of (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane (CID 143606958) is (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane.
What is the SMILES notation for (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane?
The canonical SMILES for (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane is CC.CC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane?
The InChIKey is RBKRUAGUBNRKHM-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-10(16)13(15)9-11-5-7-12(8-6-11)14(2,3)4;1-2/h5-8,13H,9,15H2,1-4H3;1-2H3/t13-;/m1./s1.
What are the key properties of (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane?
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane has a molecular weight of 249.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane is sourced from PubChem (CID 143606958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).