(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide

C15H23ClN2O — CID 103929186

IUPAC(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(11-6-8-12(16)9-7-11)18(5)14(19)13(17)15(2,3)4/h6-10,13H,17H2,1-5H3/t10?,13-/m0/s1
InChIKeyVNGOJPOQWZAUTH-HQVZTVAUSA-N
MW282.81 g/mol
LogP3.23
Rot. Bonds3

About (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide

(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide (PubChem CID 103929186) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
PubChem CID103929186
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(11-6-8-12(16)9-7-11)18(5)14(19)13(17)15(2,3)4/h6-10,13H,17H2,1-5H3/t10?,13-/m0/s1
InChIKeyVNGOJPOQWZAUTH-HQVZTVAUSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 60938421
2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 62474124
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
(2R)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929396
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3,3-trimethylbutanamide
CID 76894927
N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 55141055
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide (CID 103929186) is (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide is CC(c1ccc(Cl)cc1)N(C)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The InChIKey is VNGOJPOQWZAUTH-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(11-6-8-12(16)9-7-11)18(5)14(19)13(17)15(2,3)4/h6-10,13H,17H2,1-5H3/t10?,13-/m0/s1.
What are the key properties of (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 103929186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).