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

C14H18N2O4 — CID 45486397

IUPAC(2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(C=O)cc1
InChIInChI=1S/C14H18N2O4/c1-10(18)16-13(9-20-2)14(19)15-7-11-3-5-12(8-17)6-4-11/h3-6,8,13H,7,9H2,1-2H3,(H,15,19)(H,16,18)/t13-/m1/s1
InChIKeyHZLSBNGOXZTJQT-CYBMUJFWSA-N
MW278.31 g/mol
LogP0.27
Rot. Bonds7

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

(2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide (PubChem CID 45486397) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide
PubChem CID45486397
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(C=O)cc1
InChIInChI=1S/C14H18N2O4/c1-10(18)16-13(9-20-2)14(19)15-7-11-3-5-12(8-17)6-4-11/h3-6,8,13H,7,9H2,1-2H3,(H,15,19)(H,16,18)/t13-/m1/s1
InChIKeyHZLSBNGOXZTJQT-CYBMUJFWSA-N
XLogP0.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide (CID 45486397) is (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(C=O)cc1.
What is the InChIKey of (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide?
The InChIKey is HZLSBNGOXZTJQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(18)16-13(9-20-2)14(19)15-7-11-3-5-12(8-17)6-4-11/h3-6,8,13H,7,9H2,1-2H3,(H,15,19)(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide has a molecular weight of 278.31 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(4-formylphenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 45486397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).