2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide

C16H24N2O3 — CID 65350539

IUPAC2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
SMILESNc1cccc(CC(=O)NCCCOCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c17-14-5-1-4-13(10-14)11-16(19)18-7-3-8-20-12-15-6-2-9-21-15/h1,4-5,10,15H,2-3,6-9,11-12,17H2,(H,18,19)
InChIKeyCKITUQALNNOQQD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.51
Rot. Bonds8

About 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide

2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide (PubChem CID 65350539) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
PubChem CID65350539
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
SMILESNc1cccc(CC(=O)NCCCOCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c17-14-5-1-4-13(10-14)11-16(19)18-7-3-8-20-12-15-6-2-9-21-15/h1,4-5,10,15H,2-3,6-9,11-12,17H2,(H,18,19)
InChIKeyCKITUQALNNOQQD-UHFFFAOYSA-N
XLogP1.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide (CID 65350539) is 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide is Nc1cccc(CC(=O)NCCCOCC2CCCO2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
The InChIKey is CKITUQALNNOQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-14-5-1-4-13(10-14)11-16(19)18-7-3-8-20-12-15-6-2-9-21-15/h1,4-5,10,15H,2-3,6-9,11-12,17H2,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide?
2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide is sourced from PubChem (CID 65350539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).