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

C23H25N3O2 — CID 109137338

IUPAC1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c27-22(24-12-10-16-6-2-1-3-7-16)19-14-20(19)23(28)25-13-11-17-15-26-21-9-5-4-8-18(17)21/h1-9,15,19-20,26H,10-14H2,(H,24,27)(H,25,28)
InChIKeyRDQUIKJKMCWLKS-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.82
Rot. Bonds8

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

1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137338) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137338
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c27-22(24-12-10-16-6-2-1-3-7-16)19-14-20(19)23(28)25-13-11-17-15-26-21-9-5-4-8-18(17)21/h1-9,15,19-20,26H,10-14H2,(H,24,27)(H,25,28)
InChIKeyRDQUIKJKMCWLKS-UHFFFAOYSA-N
XLogP2.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.82
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
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
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
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]pyrrolidine-2-carboxamide;hydrochloride
CID 119674415
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-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide (CID 109137338) is 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide is O=C(NCCc1ccccc1)C1CC1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RDQUIKJKMCWLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(24-12-10-16-6-2-1-3-7-16)19-14-20(19)23(28)25-13-11-17-15-26-21-9-5-4-8-18(17)21/h1-9,15,19-20,26H,10-14H2,(H,24,27)(H,25,28).
What are the key properties of 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide?
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).