N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide

C22H25NO5 — CID 18403991

IUPACN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C2CCCCC2NC(=O)c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C22H25NO5/c1-25-18-9-7-14(11-20(18)26-2)16-5-3-4-6-17(16)23-22(24)15-8-10-19-21(12-15)28-13-27-19/h7-12,16-17H,3-6,13H2,1-2H3,(H,23,24)
InChIKeyOQWROZXIAPCJEH-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.89
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide

N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 18403991) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
PubChem CID18403991
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C2CCCCC2NC(=O)c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C22H25NO5/c1-25-18-9-7-14(11-20(18)26-2)16-5-3-4-6-17(16)23-22(24)15-8-10-19-21(12-15)28-13-27-19/h7-12,16-17H,3-6,13H2,1-2H3,(H,23,24)
InChIKeyOQWROZXIAPCJEH-UHFFFAOYSA-N
XLogP3.89
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068
3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
CID 18406745
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3,5-dinitrobenzamide
CID 87855420
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 70099471
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(4-nitrobenzoyl)benzamide
CID 18406743
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 18621298
tert-butyl N-[(1R,2R)-2-(1,3-benzodioxole-5-carbonylamino)cycloheptyl]carbamate
CID 71886715
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
ethyl 3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-3-oxopropanoate
CID 69492937

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide (CID 18403991) is N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(C2CCCCC2NC(=O)c2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OQWROZXIAPCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-25-18-9-7-14(11-20(18)26-2)16-5-3-4-6-17(16)23-22(24)15-8-10-19-21(12-15)28-13-27-19/h7-12,16-17H,3-6,13H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 18403991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).