N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

C21H22N2O4 — CID 113210851

IUPACN-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)c1
InChIInChI=1S/C21H22N2O4/c1-25-13-4-6-17-15(10-13)16(12-22-17)21(8-9-21)20(24)23-18-11-14(26-2)5-7-19(18)27-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24)
InChIKeyPWHPOXXQZQYNLS-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.86
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210851) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210851
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)c1
InChIInChI=1S/C21H22N2O4/c1-25-13-4-6-17-15(10-13)16(12-22-17)21(8-9-21)20(24)23-18-11-14(26-2)5-7-19(18)27-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24)
InChIKeyPWHPOXXQZQYNLS-UHFFFAOYSA-N
XLogP3.86
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210875
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113210863
1-(5-methoxy-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113210901
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210892
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209248

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210851) is N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is COc1ccc(OC)c(NC(=O)C2(c3c[nH]c4ccc(OC)cc34)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is PWHPOXXQZQYNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-13-4-6-17-15(10-13)16(12-22-17)21(8-9-21)20(24)23-18-11-14(26-2)5-7-19(18)27-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).