N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide

C17H23NO2 — CID 102866442

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C17H23NO2/c19-11-5-10-18(14-8-4-9-14)17(20)16-12-15(16)13-6-2-1-3-7-13/h1-3,6-7,14-16,19H,4-5,8-12H2
InChIKeyAJBUYCZPERAOKI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.55
Rot. Bonds6

About N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 102866442) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID102866442
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C17H23NO2/c19-11-5-10-18(14-8-4-9-14)17(20)16-12-15(16)13-6-2-1-3-7-13/h1-3,6-7,14-16,19H,4-5,8-12H2
InChIKeyAJBUYCZPERAOKI-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide (CID 102866442) is N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide is O=C(C1CC1c1ccccc1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is AJBUYCZPERAOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-11-5-10-18(14-8-4-9-14)17(20)16-12-15(16)13-6-2-1-3-7-13/h1-3,6-7,14-16,19H,4-5,8-12H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 102866442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).