N-(3-oxopropyl)-N-phenylmethoxyacetamide

C12H15NO3 — CID 71545702

IUPACN-(3-oxopropyl)-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCC=O)OCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-11(15)13(8-5-9-14)16-10-12-6-3-2-4-7-12/h2-4,6-7,9H,5,8,10H2,1H3
InChIKeyYWMYUNRHJLXFFK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.56
Rot. Bonds6

About N-(3-oxopropyl)-N-phenylmethoxyacetamide

N-(3-oxopropyl)-N-phenylmethoxyacetamide (PubChem CID 71545702) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3-oxopropyl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(3-oxopropyl)-N-phenylmethoxyacetamide
PubChem CID71545702
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(3-oxopropyl)-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCC=O)OCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-11(15)13(8-5-9-14)16-10-12-6-3-2-4-7-12/h2-4,6-7,9H,5,8,10H2,1H3
InChIKeyYWMYUNRHJLXFFK-UHFFFAOYSA-N
XLogP1.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
N-phenylmethoxyacetohydrazide
CID 174450270
5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide
CID 10100838
phenylmethoxy(2-phenylmethoxyethyl)carbamic acid
CID 142651909
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
N-benzyl-N-(5-oxopentyl)acetamide
CID 11586698
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333
N-methyl-N-phenylmethoxyformamide
CID 57089495
methyl 2-[[acetyl(phenylmethoxy)amino]methyl]-4-phenylbutanoate
CID 59055890
1-benzyl-1-phenylmethoxyurea
CID 22444379
N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide
CID 174340138

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopropyl)-N-phenylmethoxyacetamide?
The IUPAC name of N-(3-oxopropyl)-N-phenylmethoxyacetamide (CID 71545702) is N-(3-oxopropyl)-N-phenylmethoxyacetamide.
What is the SMILES notation for N-(3-oxopropyl)-N-phenylmethoxyacetamide?
The canonical SMILES for N-(3-oxopropyl)-N-phenylmethoxyacetamide is CC(=O)N(CCC=O)OCc1ccccc1.
What is the InChIKey of N-(3-oxopropyl)-N-phenylmethoxyacetamide?
The InChIKey is YWMYUNRHJLXFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-11(15)13(8-5-9-14)16-10-12-6-3-2-4-7-12/h2-4,6-7,9H,5,8,10H2,1H3.
What are the key properties of N-(3-oxopropyl)-N-phenylmethoxyacetamide?
N-(3-oxopropyl)-N-phenylmethoxyacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopropyl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 71545702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).