(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide

C14H20N2O3 — CID 45486387

IUPAC(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-12(7-5-10)8-15-14(18)13(9-19-3)16-11(2)17/h4-7,13H,8-9H2,1-3H3,(H,15,18)(H,16,17)/t13-/m1/s1
InChIKeyXZCFNPUYBNXHEM-CYBMUJFWSA-N
MW264.32 g/mol
LogP0.76
Rot. Bonds6

About (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide

(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 45486387) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide
PubChem CID45486387
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-12(7-5-10)8-15-14(18)13(9-19-3)16-11(2)17/h4-7,13H,8-9H2,1-3H3,(H,15,18)(H,16,17)/t13-/m1/s1
InChIKeyXZCFNPUYBNXHEM-CYBMUJFWSA-N
XLogP0.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide (CID 45486387) is (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is XZCFNPUYBNXHEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-6-12(7-5-10)8-15-14(18)13(9-19-3)16-11(2)17/h4-7,13H,8-9H2,1-3H3,(H,15,18)(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide?
(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 264.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 45486387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).