N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide

C18H24N2O4 — CID 100780484

IUPACN-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cc1OC
InChIInChI=1S/C18H24N2O4/c1-20(2)16(22)18(9-10-18)17(7-8-17)15(21)19-12-5-6-13(23-3)14(11-12)24-4/h5-6,11H,7-10H2,1-4H3,(H,19,21)
InChIKeyGHQKSGPHJFSGLL-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.29
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide

N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide (PubChem CID 100780484) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide
PubChem CID100780484
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cc1OC
InChIInChI=1S/C18H24N2O4/c1-20(2)16(22)18(9-10-18)17(7-8-17)15(21)19-12-5-6-13(23-3)14(11-12)24-4/h5-6,11H,7-10H2,1-4H3,(H,19,21)
InChIKeyGHQKSGPHJFSGLL-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[1-(piperidine-1-carbonyl)cyclopropyl]cyclopropane-1-carboxamide
CID 100780625
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
(3,4-dimethoxyphenyl)urea
CID 21197430
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974020

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide (CID 100780484) is N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide?
The InChIKey is GHQKSGPHJFSGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-20(2)16(22)18(9-10-18)17(7-8-17)15(21)19-12-5-6-13(23-3)14(11-12)24-4/h5-6,11H,7-10H2,1-4H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[1-(dimethylcarbamoyl)cyclopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100780484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).