2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide

C18H22ClNO2 — CID 91511964

IUPAC2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide
SMILESC=C(C)ON(C(=C)C)C(=O)C1CCC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO2/c1-12(2)20(22-13(3)4)17(21)16-10-11-18(16,5)14-6-8-15(19)9-7-14/h6-9,16H,1,3,10-11H2,2,4-5H3
InChIKeyNTUUVNBUMOHPJG-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.84
Rot. Bonds5

About 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide

2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide (PubChem CID 91511964) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide
PubChem CID91511964
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide
SMILESC=C(C)ON(C(=C)C)C(=O)C1CCC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO2/c1-12(2)20(22-13(3)4)17(21)16-10-11-18(16,5)14-6-8-15(19)9-7-14/h6-9,16H,1,3,10-11H2,2,4-5H3
InChIKeyNTUUVNBUMOHPJG-UHFFFAOYSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
CID 115881748
1-[2-(4-chlorophenyl)-2-methylcyclopropyl]ethanimine
CID 141035395
methyl 1-(4-chlorophenyl)-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022975
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
CID 68974773
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
acetic acid;N-[4-(4-chlorophenyl)-4-methoxycyclohexylidene]hydroxylamine
CID 88835060
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 62388315
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765
2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
CID 114550401
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one
CID 19823745

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide (CID 91511964) is 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide is C=C(C)ON(C(=C)C)C(=O)C1CCC1(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide?
The InChIKey is NTUUVNBUMOHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-12(2)20(22-13(3)4)17(21)16-10-11-18(16,5)14-6-8-15(19)9-7-14/h6-9,16H,1,3,10-11H2,2,4-5H3.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide?
2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide has a molecular weight of 319.83 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-prop-1-en-2-yl-N-prop-1-en-2-yloxycyclobutane-1-carboxamide is sourced from PubChem (CID 91511964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).