(2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide

C15H20N2O3 — CID 45486468

IUPAC(2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide
SMILESC=Cc1ccc(CNC(=O)[C@@H](COC)NC(C)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-4-12-5-7-13(8-6-12)9-16-15(19)14(10-20-3)17-11(2)18/h4-8,14H,1,9-10H2,2-3H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyOLJIGPVPCOLSOO-CQSZACIVSA-N
MW276.34 g/mol
LogP1.10
Rot. Bonds7

About (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide

(2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide (PubChem CID 45486468) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide
PubChem CID45486468
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide
SMILESC=Cc1ccc(CNC(=O)[C@@H](COC)NC(C)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-4-12-5-7-13(8-6-12)9-16-15(19)14(10-20-3)17-11(2)18/h4-8,14H,1,9-10H2,2-3H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyOLJIGPVPCOLSOO-CQSZACIVSA-N
XLogP1.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide (CID 45486468) is (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide is C=Cc1ccc(CNC(=O)[C@@H](COC)NC(C)=O)cc1.
What is the InChIKey of (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide?
The InChIKey is OLJIGPVPCOLSOO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-12-5-7-13(8-6-12)9-16-15(19)14(10-20-3)17-11(2)18/h4-8,14H,1,9-10H2,2-3H3,(H,16,19)(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide has a molecular weight of 276.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(4-ethenylphenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 45486468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).