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

C22H23N3O2 — CID 109134996

IUPAC1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21(23-11-10-16-14-24-20-9-5-4-8-17(16)20)18-12-19(18)22(27)25-13-15-6-2-1-3-7-15/h1-9,14,18-19,24H,10-13H2,(H,23,26)(H,25,27)
InChIKeyHNGADJFWUZHNKK-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.78
Rot. Bonds7

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

1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109134996) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109134996
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21(23-11-10-16-14-24-20-9-5-4-8-17(16)20)18-12-19(18)22(27)25-13-15-6-2-1-3-7-15/h1-9,14,18-19,24H,10-13H2,(H,23,26)(H,25,27)
InChIKeyHNGADJFWUZHNKK-UHFFFAOYSA-N
XLogP2.78
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
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
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,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109138505
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138524
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138540
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109134996) is 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CC1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is HNGADJFWUZHNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(23-11-10-16-14-24-20-9-5-4-8-17(16)20)18-12-19(18)22(27)25-13-15-6-2-1-3-7-15/h1-9,14,18-19,24H,10-13H2,(H,23,26)(H,25,27).
What are the key properties of 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).