N-butyl-2-phenylmethoxyacetamide

C13H19NO2 — CID 126717674

IUPACN-butyl-2-phenylmethoxyacetamide
SMILESCCCCNC(=O)COCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-9-14-13(15)11-16-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15)
InChIKeyUZFPEYZXUBNVMU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds7

About N-butyl-2-phenylmethoxyacetamide

N-butyl-2-phenylmethoxyacetamide (PubChem CID 126717674) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-butyl-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-butyl-2-phenylmethoxyacetamide
PubChem CID126717674
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-butyl-2-phenylmethoxyacetamide
SMILESCCCCNC(=O)COCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-9-14-13(15)11-16-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15)
InChIKeyUZFPEYZXUBNVMU-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
CID 58756722
nonyl 8-[octyl-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate
CID 167147590
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
N-ethylbutan-1-amine;N-(3-ethylphenyl)-2-phenylmethoxyacetamide
CID 70392592
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane
CID 143299317
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
N-(4-phenylbutyl)hexanamide
CID 4985988

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-phenylmethoxyacetamide?
The IUPAC name of N-butyl-2-phenylmethoxyacetamide (CID 126717674) is N-butyl-2-phenylmethoxyacetamide.
What is the SMILES notation for N-butyl-2-phenylmethoxyacetamide?
The canonical SMILES for N-butyl-2-phenylmethoxyacetamide is CCCCNC(=O)COCc1ccccc1.
What is the InChIKey of N-butyl-2-phenylmethoxyacetamide?
The InChIKey is UZFPEYZXUBNVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-9-14-13(15)11-16-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15).
What are the key properties of N-butyl-2-phenylmethoxyacetamide?
N-butyl-2-phenylmethoxyacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenylmethoxyacetamide is sourced from PubChem (CID 126717674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).