1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide

C23H22N4O4 — CID 166219582

IUPAC1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc2[nH]ccc2c1NC(=O)C1CC1C(=O)Nc1c(OC)ccc2[nH]ccc12
InChIInChI=1S/C23H22N4O4/c1-30-18-5-3-16-12(7-9-24-16)20(18)26-22(28)14-11-15(14)23(29)27-21-13-8-10-25-17(13)4-6-19(21)31-2/h3-10,14-15,24-25H,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPLMGJYLJWAFTQF-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.88
Rot. Bonds6

About 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide

1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 166219582) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide
PubChem CID166219582
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc2[nH]ccc2c1NC(=O)C1CC1C(=O)Nc1c(OC)ccc2[nH]ccc12
InChIInChI=1S/C23H22N4O4/c1-30-18-5-3-16-12(7-9-24-16)20(18)26-22(28)14-11-15(14)23(29)27-21-13-8-10-25-17(13)4-6-19(21)31-2/h3-10,14-15,24-25H,11H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPLMGJYLJWAFTQF-UHFFFAOYSA-N
XLogP3.88
TPSA108.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142425
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143254
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
3-(5-methoxy-1H-indol-4-yl)propanal
CID 117291568
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide (CID 166219582) is 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide is COc1ccc2[nH]ccc2c1NC(=O)C1CC1C(=O)Nc1c(OC)ccc2[nH]ccc12.
What is the InChIKey of 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PLMGJYLJWAFTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-18-5-3-16-12(7-9-24-16)20(18)26-22(28)14-11-15(14)23(29)27-21-13-8-10-25-17(13)4-6-19(21)31-2/h3-10,14-15,24-25H,11H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide?
1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(5-methoxy-1H-indol-4-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 166219582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).