2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

C19H24N2O2 — CID 86809220

IUPAC2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1C2CCC(C2)N1C(=O)C1CC1
InChIInChI=1S/C19H24N2O2/c22-18(20-11-10-13-4-2-1-3-5-13)17-15-8-9-16(12-15)21(17)19(23)14-6-7-14/h1-5,14-17H,6-12H2,(H,20,22)
InChIKeyUSLHVYVSMVDGNJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.13
Rot. Bonds5

About 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 86809220) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID86809220
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1C2CCC(C2)N1C(=O)C1CC1
InChIInChI=1S/C19H24N2O2/c22-18(20-11-10-13-4-2-1-3-5-13)17-15-8-9-16(12-15)21(17)19(23)14-6-7-14/h1-5,14-17H,6-12H2,(H,20,22)
InChIKeyUSLHVYVSMVDGNJ-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 86809220) is 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is O=C(NCCc1ccccc1)C1C2CCC(C2)N1C(=O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is USLHVYVSMVDGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(20-11-10-13-4-2-1-3-5-13)17-15-8-9-16(12-15)21(17)19(23)14-6-7-14/h1-5,14-17H,6-12H2,(H,20,22).
What are the key properties of 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 86809220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).