N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide

C19H21NO2 — CID 111471582

IUPACN-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)C1CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-18(15-9-5-2-6-10-15)11-12-20-19(22)17-13-16(17)14-7-3-1-4-8-14/h1-10,16-18,21H,11-13H2,(H,20,22)
InChIKeyXWHIVFQIKXLMEA-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.03
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide

N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 111471582) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID111471582
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)C1CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-18(15-9-5-2-6-10-15)11-12-20-19(22)17-13-16(17)14-7-3-1-4-8-14/h1-10,16-18,21H,11-13H2,(H,20,22)
InChIKeyXWHIVFQIKXLMEA-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide
CID 106244224
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
CID 69221581

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide (CID 111471582) is N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide is O=C(NCCC(O)c1ccccc1)C1CC1c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XWHIVFQIKXLMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(15-9-5-2-6-10-15)11-12-20-19(22)17-13-16(17)14-7-3-1-4-8-14/h1-10,16-18,21H,11-13H2,(H,20,22).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 111471582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).