N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide

C19H21NO3 — CID 113091150

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
SMILESCOc1ccc(C2(NC(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3/c1-22-16-9-7-15(8-10-16)19(12-13-19)20-18(21)11-14-23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyVLQDJNHBCGRELA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.27
Rot. Bonds7

About N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide

N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide (PubChem CID 113091150) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
PubChem CID113091150
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
SMILESCOc1ccc(C2(NC(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3/c1-22-16-9-7-15(8-10-16)19(12-13-19)20-18(21)11-14-23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyVLQDJNHBCGRELA-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
CID 61120116
3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51273236

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide (CID 113091150) is N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide is COc1ccc(C2(NC(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide?
The InChIKey is VLQDJNHBCGRELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-16-9-7-15(8-10-16)19(12-13-19)20-18(21)11-14-23-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide?
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide has a molecular weight of 311.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide is sourced from PubChem (CID 113091150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).