N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide

C19H21NO2 — CID 110612039

IUPACN-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)C1CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-16-10-8-14(9-11-16)5-4-12-20-19(22)18-13-17(18)15-6-2-1-3-7-15/h1-3,6-11,17-18,21H,4-5,12-13H2,(H,20,22)
InChIKeySPLDDDLICMYLMG-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.24
Rot. Bonds6

About N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide

N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 110612039) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID110612039
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)C1CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-16-10-8-14(9-11-16)5-4-12-20-19(22)18-13-17(18)15-6-2-1-3-7-15/h1-3,6-11,17-18,21H,4-5,12-13H2,(H,20,22)
InChIKeySPLDDDLICMYLMG-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
cis-(1R,2S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 139568768
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
CID 69221581
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide (CID 110612039) is N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCCCc1ccc(O)cc1)C1CC1c1ccccc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SPLDDDLICMYLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-16-10-8-14(9-11-16)5-4-12-20-19(22)18-13-17(18)15-6-2-1-3-7-15/h1-3,6-11,17-18,21H,4-5,12-13H2,(H,20,22).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide?
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110612039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).