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

C16H24N2O2 — CID 61436237

IUPAC3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
SMILESCN(CC1CCCCO1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-18(12-15-7-2-3-10-20-15)16(19)9-8-13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12,17H2,1H3
InChIKeyXLODPXQWPMFZPV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds5

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

3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide (PubChem CID 61436237) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
PubChem CID61436237
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
SMILESCN(CC1CCCCO1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-18(12-15-7-2-3-10-20-15)16(19)9-8-13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12,17H2,1H3
InChIKeyXLODPXQWPMFZPV-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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

2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
4-[3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686880
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884
3-[[oxan-2-ylmethyl(propan-2-yl)amino]methyl]aniline
CID 43591946
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740888
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide (CID 61436237) is 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide is CN(CC1CCCCO1)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The InChIKey is XLODPXQWPMFZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-15-7-2-3-10-20-15)16(19)9-8-13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12,17H2,1H3.
What are the key properties of 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide?
3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide is sourced from PubChem (CID 61436237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).