1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide

C15H19NO2 — CID 110486813

IUPAC1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccccc2OC)CCC1
InChIInChI=1S/C15H19NO2/c1-3-11-16-14(17)15(9-6-10-15)12-7-4-5-8-13(12)18-2/h3-5,7-8H,1,6,9-11H2,2H3,(H,16,17)
InChIKeyKEVITVYIFNBSQQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.42
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide

1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide (PubChem CID 110486813) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
PubChem CID110486813
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccccc2OC)CCC1
InChIInChI=1S/C15H19NO2/c1-3-11-16-14(17)15(9-6-10-15)12-7-4-5-8-13(12)18-2/h3-5,7-8H,1,6,9-11H2,2H3,(H,16,17)
InChIKeyKEVITVYIFNBSQQ-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438088
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
1-(2-methoxyphenyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 110439711
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125
methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
CID 110439045
N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 110466088
1-(2-methoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 51130985
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide (CID 110486813) is 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide is C=CCNC(=O)C1(c2ccccc2OC)CCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide?
The InChIKey is KEVITVYIFNBSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-11-16-14(17)15(9-6-10-15)12-7-4-5-8-13(12)18-2/h3-5,7-8H,1,6,9-11H2,2H3,(H,16,17).
What are the key properties of 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide?
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide is sourced from PubChem (CID 110486813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).