3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

C15H20N2O2 — CID 80715748

IUPAC3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESNc1cccc(CCC(=O)NC2CC3CCC2O3)c1
InChIInChI=1S/C15H20N2O2/c16-11-3-1-2-10(8-11)4-7-15(18)17-13-9-12-5-6-14(13)19-12/h1-3,8,12-14H,4-7,9,16H2,(H,17,18)
InChIKeyQQJACXMUANXLMT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds4

About 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 80715748) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID80715748
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESNc1cccc(CCC(=O)NC2CC3CCC2O3)c1
InChIInChI=1S/C15H20N2O2/c16-11-3-1-2-10(8-11)4-7-15(18)17-13-9-12-5-6-14(13)19-12/h1-3,8,12-14H,4-7,9,16H2,(H,17,18)
InChIKeyQQJACXMUANXLMT-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 107211275
3-(3-aminophenyl)-N-(2-methyloxolan-3-yl)propanamide
CID 82725114
3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 43309134
3-(3-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369331
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
CID 80602124
3,5-diamino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716270
2,4-difluoro-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-(3-pyridin-3-ylpropanoylamino)benzamide
CID 176500584
6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
CID 80714519
3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 80701579
3-(3-aminophenyl)-N-cyanopropanamide
CID 115341549

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 80715748) is 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is Nc1cccc(CCC(=O)NC2CC3CCC2O3)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is QQJACXMUANXLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-11-3-1-2-10(8-11)4-7-15(18)17-13-9-12-5-6-14(13)19-12/h1-3,8,12-14H,4-7,9,16H2,(H,17,18).
What are the key properties of 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 80715748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).