N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide

C19H21NO2 — CID 33175947

IUPACN-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c21-18(19(12-13-19)16-8-3-1-4-9-16)20-14-7-15-22-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,21)
InChIKeySPFQQXFVJMRFQC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.30
Rot. Bonds7

About N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide

N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 33175947) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID33175947
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c21-18(19(12-13-19)16-8-3-1-4-9-16)20-14-7-15-22-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,21)
InChIKeySPFQQXFVJMRFQC-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide
CID 80597497
1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 62379855
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100551991
N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide (CID 33175947) is N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide is O=C(NCCCOc1ccccc1)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is SPFQQXFVJMRFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(19(12-13-19)16-8-3-1-4-9-16)20-14-7-15-22-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,21).
What are the key properties of N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide?
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 33175947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).