2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

C16H24N2O2 — CID 119798084

IUPAC2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-18(9-6-13-7-10-20-11-8-13)16(19)12-14-2-4-15(17)5-3-14/h2-5,13H,6-12,17H2,1H3
InChIKeyMZUWVGCPLCYVNU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.09
Rot. Bonds5

About 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 119798084) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID119798084
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCN(CCC1CCOCC1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-18(9-6-13-7-10-20-11-8-13)16(19)12-14-2-4-15(17)5-3-14/h2-5,13H,6-12,17H2,1H3
InChIKeyMZUWVGCPLCYVNU-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Fepratset
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1-(2-p-Tolylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester
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N-[4-(4-morpholinylmethyl)phenyl]-2-phenylacetamide
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Benzeneacetamide, 4-amino-alpha-phenyl-N,N,alpha-triethyl-
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2-(4-aminophenyl)-N,N-dimethylacetamide
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2-(4-aminophenyl)-N-ethylacetamide
CID 16770722
2-(4-Aminophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 16773079
2-(4-Aminophenyl)-1-(4-morpholinyl)ethanone
CID 16774177
4-Amino-N-(1-methyl-2-phenylethyl)benzeneacetamide hydrochloride
CID 2845128
3-(4-Aminophenyl)-1-heptylpyrrolidine-2,5-dione
CID 9860740

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (CID 119798084) is 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is CN(CCC1CCOCC1)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is MZUWVGCPLCYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(9-6-13-7-10-20-11-8-13)16(19)12-14-2-4-15(17)5-3-14/h2-5,13H,6-12,17H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 119798084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).