(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide

C16H26N2O — CID 119789746

IUPAC(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCc1cccc(C(C)NC(=O)[C@@H](N)C(C)(C)C)c1C
InChIInChI=1S/C16H26N2O/c1-10-8-7-9-13(11(10)2)12(3)18-15(19)14(17)16(4,5)6/h7-9,12,14H,17H2,1-6H3,(H,18,19)/t12?,14-/m1/s1
InChIKeyMYUYKZTZELAHBW-TYZXPVIJSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds3

About (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 119789746) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID119789746
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCc1cccc(C(C)NC(=O)[C@@H](N)C(C)(C)C)c1C
InChIInChI=1S/C16H26N2O/c1-10-8-7-9-13(11(10)2)12(3)18-15(19)14(17)16(4,5)6/h7-9,12,14H,17H2,1-6H3,(H,18,19)/t12?,14-/m1/s1
InChIKeyMYUYKZTZELAHBW-TYZXPVIJSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119327098
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
(2S)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716488
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
(2S)-2-amino-3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61178572
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide (CID 119789746) is (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide is Cc1cccc(C(C)NC(=O)[C@@H](N)C(C)(C)C)c1C.
What is the InChIKey of (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is MYUYKZTZELAHBW-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-8-7-9-13(11(10)2)12(3)18-15(19)14(17)16(4,5)6/h7-9,12,14H,17H2,1-6H3,(H,18,19)/t12?,14-/m1/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119789746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).