1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide

C20H21NO2 — CID 100782348

IUPAC1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H21NO2/c1-3-14-23-18-10-8-17(9-11-18)21-19(22)20(12-13-20)16-6-4-15(2)5-7-16/h3-11H,1,12-14H2,2H3,(H,21,22)
InChIKeyJAGVDRHINZWMFN-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide

1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 100782348) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
PubChem CID100782348
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H21NO2/c1-3-14-23-18-10-8-17(9-11-18)21-19(22)20(12-13-20)16-6-4-15(2)5-7-16/h3-11H,1,12-14H2,2H3,(H,21,22)
InChIKeyJAGVDRHINZWMFN-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.23
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

1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
CID 100781422
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide (CID 100782348) is 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide is C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is JAGVDRHINZWMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-14-23-18-10-8-17(9-11-18)21-19(22)20(12-13-20)16-6-4-15(2)5-7-16/h3-11H,1,12-14H2,2H3,(H,21,22).
What are the key properties of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100782348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).