(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide

C15H22N2O3 — CID 40917712

IUPAC(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](NC(C)=O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)14(16-11(4)18)15(19)17-12-8-10(3)6-7-13(12)20-5/h6-9,14H,1-5H3,(H,16,18)(H,17,19)/t14-/m1/s1
InChIKeyMEHAZJMCKBHDAA-CQSZACIVSA-N
MW278.35 g/mol
LogP2.10
Rot. Bonds5

About (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide

(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide (PubChem CID 40917712) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
PubChem CID40917712
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](NC(C)=O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)14(16-11(4)18)15(19)17-12-8-10(3)6-7-13(12)20-5/h6-9,14H,1-5H3,(H,16,18)(H,17,19)/t14-/m1/s1
InChIKeyMEHAZJMCKBHDAA-CQSZACIVSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-fluoro-N-[(2R)-1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2521734
2-[(2-acetamido-3-methylbutanoyl)amino]-5-methylbenzoic acid
CID 43172076
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219817
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-methylbutanoate
CID 46512010
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide (CID 40917712) is (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide is COc1ccc(C)cc1NC(=O)[C@H](NC(C)=O)C(C)C.
What is the InChIKey of (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
The InChIKey is MEHAZJMCKBHDAA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)14(16-11(4)18)15(19)17-12-8-10(3)6-7-13(12)20-5/h6-9,14H,1-5H3,(H,16,18)(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide has a molecular weight of 278.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 40917712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).