1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide

C22H20N2O3 — CID 59129162

IUPAC1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(C3CC3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H20N2O3/c25-21(22(7-8-22)15-3-6-19-20(11-15)27-12-26-19)23-16-4-5-17-14(9-16)10-18(24-17)13-1-2-13/h3-6,9-11,13,24H,1-2,7-8,12H2,(H,23,25)
InChIKeyHWSXWZQYDVTTNL-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.44
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide (PubChem CID 59129162) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide
PubChem CID59129162
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(C3CC3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H20N2O3/c25-21(22(7-8-22)15-3-6-19-20(11-15)27-12-26-19)23-16-4-5-17-14(9-16)10-18(24-17)13-1-2-13/h3-6,9-11,13,24H,1-2,7-8,12H2,(H,23,25)
InChIKeyHWSXWZQYDVTTNL-UHFFFAOYSA-N
XLogP4.44
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[2-[dimethylamino(hydroxy)methyl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 130193818
ethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 16752708
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-yl-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 59129476
1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide
CID 46199712
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(methylideneamino)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59636915
tert-butyl N-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-N-(2-methylpropyl)carbamate
CID 67044081
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59129474
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-3-nitroso-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 59129407
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
1-(1,3-benzodioxol-5-yl)-N-(3-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159372797
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide (CID 59129162) is 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc2[nH]c(C3CC3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is HWSXWZQYDVTTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(22(7-8-22)15-3-6-19-20(11-15)27-12-26-19)23-16-4-5-17-14(9-16)10-18(24-17)13-1-2-13/h3-6,9-11,13,24H,1-2,7-8,12H2,(H,23,25).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59129162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).