1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide

C23H25N3O3 — CID 109138540

IUPAC1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1CC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O3/c1-2-29-21-10-6-5-9-20(21)26-23(28)18-13-17(18)22(27)24-12-11-15-14-25-19-8-4-3-7-16(15)19/h3-10,14,17-18,25H,2,11-13H2,1H3,(H,24,27)(H,26,28)
InChIKeyNAMDMAQRJVJWJC-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.50
Rot. Bonds8

About 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109138540) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109138540
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1CC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O3/c1-2-29-21-10-6-5-9-20(21)26-23(28)18-13-17(18)22(27)24-12-11-15-14-25-19-8-4-3-7-16(15)19/h3-10,14,17-18,25H,2,11-13H2,1H3,(H,24,27)(H,26,28)
InChIKeyNAMDMAQRJVJWJC-UHFFFAOYSA-N
XLogP3.50
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-ethylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138520
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138524
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
2-N-[2-(1H-indol-3-yl)ethyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109138505
1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136109
(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide
CID 7928745
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109138511
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109138540) is 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide is CCOc1ccccc1NC(=O)C1CC1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NAMDMAQRJVJWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-29-21-10-6-5-9-20(21)26-23(28)18-13-17(18)22(27)24-12-11-15-14-25-19-8-4-3-7-16(15)19/h3-10,14,17-18,25H,2,11-13H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).