N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide

C20H27NO2 — CID 86781081

IUPACN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCC1C2CCc3ccccc3C21)C1CCOCC1
InChIInChI=1S/C20H27NO2/c1-13(14-8-10-23-11-9-14)20(22)21-12-18-17-7-6-15-4-2-3-5-16(15)19(17)18/h2-5,13-14,17-19H,6-12H2,1H3,(H,21,22)
InChIKeyPZOKKCOIZUAGEK-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.14
Rot. Bonds4

About N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide (PubChem CID 86781081) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide
PubChem CID86781081
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCC1C2CCc3ccccc3C21)C1CCOCC1
InChIInChI=1S/C20H27NO2/c1-13(14-8-10-23-11-9-14)20(22)21-12-18-17-7-6-15-4-2-3-5-16(15)19(17)18/h2-5,13-14,17-19H,6-12H2,1H3,(H,21,22)
InChIKeyPZOKKCOIZUAGEK-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide?
The IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide (CID 86781081) is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide is CC(C(=O)NCC1C2CCc3ccccc3C21)C1CCOCC1.
What is the InChIKey of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide?
The InChIKey is PZOKKCOIZUAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13(14-8-10-23-11-9-14)20(22)21-12-18-17-7-6-15-4-2-3-5-16(15)19(17)18/h2-5,13-14,17-19H,6-12H2,1H3,(H,21,22).
What are the key properties of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide?
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide has a molecular weight of 313.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 86781081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).