2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide

C15H22N2O2 — CID 62498545

IUPAC2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H22N2O2/c1-17(11-14-7-2-3-8-19-14)15(18)10-12-5-4-6-13(16)9-12/h4-6,9,14H,2-3,7-8,10-11,16H2,1H3
InChIKeyHNLWBWAWUUYUGI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds4

About 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide

2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide (PubChem CID 62498545) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
PubChem CID62498545
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H22N2O2/c1-17(11-14-7-2-3-8-19-14)15(18)10-12-5-4-6-13(16)9-12/h4-6,9,14H,2-3,7-8,10-11,16H2,1H3
InChIKeyHNLWBWAWUUYUGI-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
3-[[oxan-2-ylmethyl(propan-2-yl)amino]methyl]aniline
CID 43591946
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 61430922
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide (CID 62498545) is 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide is CN(CC1CCCCO1)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is HNLWBWAWUUYUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(11-14-7-2-3-8-19-14)15(18)10-12-5-4-6-13(16)9-12/h4-6,9,14H,2-3,7-8,10-11,16H2,1H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide?
2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 62498545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).