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

C23H25N3O2 — CID 109135314

IUPAC2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC2C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H25N3O2/c1-15-5-4-6-16(11-15)13-26-23(28)20-12-19(20)22(27)24-10-9-17-14-25-21-8-3-2-7-18(17)21/h2-8,11,14,19-20,25H,9-10,12-13H2,1H3,(H,24,27)(H,26,28)
InChIKeyNWHJXQRCKRJSAS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.09
Rot. Bonds7

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

2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135314) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135314
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC2C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H25N3O2/c1-15-5-4-6-16(11-15)13-26-23(28)20-12-19(20)22(27)24-10-9-17-14-25-21-8-3-2-7-18(17)21/h2-8,11,14,19-20,25H,9-10,12-13H2,1H3,(H,24,27)(H,26,28)
InChIKeyNWHJXQRCKRJSAS-UHFFFAOYSA-N
XLogP3.09
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
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-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109138511
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
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118252
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138524

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135314) is 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is Cc1cccc(CNC(=O)C2CC2C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NWHJXQRCKRJSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-5-4-6-16(11-15)13-26-23(28)20-12-19(20)22(27)24-10-9-17-14-25-21-8-3-2-7-18(17)21/h2-8,11,14,19-20,25H,9-10,12-13H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).