N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide

C13H15NO3 — CID 84795927

IUPACN-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C=O)cc1OCC1CC1
InChIInChI=1S/C13H15NO3/c1-9(16)14-12-5-4-11(7-15)6-13(12)17-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,14,16)
InChIKeyLWJNPJZUYOSVFW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide

N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide (PubChem CID 84795927) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide
PubChem CID84795927
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C=O)cc1OCC1CC1
InChIInChI=1S/C13H15NO3/c1-9(16)14-12-5-4-11(7-15)6-13(12)17-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,14,16)
InChIKeyLWJNPJZUYOSVFW-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide (CID 84795927) is N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide is CC(=O)Nc1ccc(C=O)cc1OCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide?
The InChIKey is LWJNPJZUYOSVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(16)14-12-5-4-11(7-15)6-13(12)17-8-10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,14,16).
What are the key properties of N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide?
N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide is sourced from PubChem (CID 84795927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).