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1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C22H26N2O2 — CID 66684992

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1(c2cccc(O)c2)CC1
InChIInChI=1S/C22H26N2O2/c25-19-10-6-9-18(15-19)22(11-12-22)21(26)23-20(16-24-13-4-5-14-24)17-7-2-1-3-8-17/h1-3,6-10,15,20,25H,4-5,11-14,16H2,(H,23,26)
InChIKeyDNQZTOLOANJGKV-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.38
Rot. Bonds6

About 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 66684992) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID66684992
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1(c2cccc(O)c2)CC1
InChIInChI=1S/C22H26N2O2/c25-19-10-6-9-18(15-19)22(11-12-22)21(26)23-20(16-24-13-4-5-14-24)17-7-2-1-3-8-17/h1-3,6-10,15,20,25H,4-5,11-14,16H2,(H,23,26)
InChIKeyDNQZTOLOANJGKV-UHFFFAOYSA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 66684992) is 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is O=C(NC(CN1CCCC1)c1ccccc1)C1(c2cccc(O)c2)CC1.
What is the InChIKey of 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is DNQZTOLOANJGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-19-10-6-9-18(15-19)22(11-12-22)21(26)23-20(16-24-13-4-5-14-24)17-7-2-1-3-8-17/h1-3,6-10,15,20,25H,4-5,11-14,16H2,(H,23,26).
What are the key properties of 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66684992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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