N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide

C15H20N2O2 — CID 134075403

IUPACN-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)C12CCNCC1C2
InChIInChI=1S/C15H20N2O2/c18-8-5-11-1-3-13(4-2-11)17-14(19)15-6-7-16-10-12(15)9-15/h1-4,12,16,18H,5-10H2,(H,17,19)
InChIKeyXKFJZEQYSFYPGQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.16
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide (PubChem CID 134075403) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
PubChem CID134075403
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)C12CCNCC1C2
InChIInChI=1S/C15H20N2O2/c18-8-5-11-1-3-13(4-2-11)17-14(19)15-6-7-16-10-12(15)9-15/h1-4,12,16,18H,5-10H2,(H,17,19)
InChIKeyXKFJZEQYSFYPGQ-UHFFFAOYSA-N
XLogP1.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide (CID 134075403) is N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide is O=C(Nc1ccc(CCO)cc1)C12CCNCC1C2.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The InChIKey is XKFJZEQYSFYPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-8-5-11-1-3-13(4-2-11)17-14(19)15-6-7-16-10-12(15)9-15/h1-4,12,16,18H,5-10H2,(H,17,19).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide is sourced from PubChem (CID 134075403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).