(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide

C15H24N2O3 — CID 79011400

IUPAC(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccc(C(C)NC(=O)[C@H](N)C(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-9(2)14(16)15(18)17-10(3)12-7-6-11(19-4)8-13(12)20-5/h6-10,14H,16H2,1-5H3,(H,17,18)/t10?,14-/m1/s1
InChIKeyBJZYXGPWXITLIP-LNUXAPHWSA-N
MW280.37 g/mol
LogP1.86
Rot. Bonds6

About (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide

(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 79011400) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
PubChem CID79011400
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccc(C(C)NC(=O)[C@H](N)C(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-9(2)14(16)15(18)17-10(3)12-7-6-11(19-4)8-13(12)20-5/h6-10,14H,16H2,1-5H3,(H,17,18)/t10?,14-/m1/s1
InChIKeyBJZYXGPWXITLIP-LNUXAPHWSA-N
XLogP1.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 43699664
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55580663
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 86995853
2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 55048004
2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanamide
CID 61218248

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide (CID 79011400) is (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide is COc1ccc(C(C)NC(=O)[C@H](N)C(C)C)c(OC)c1.
What is the InChIKey of (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is BJZYXGPWXITLIP-LNUXAPHWSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(2)14(16)15(18)17-10(3)12-7-6-11(19-4)8-13(12)20-5/h6-10,14H,16H2,1-5H3,(H,17,18)/t10?,14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 79011400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).