N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide

C18H23N3O2 — CID 108942165

IUPACN'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
SMILESO=C(CC(=O)NC1CCCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c22-17(11-18(23)21-14-5-1-2-6-14)19-10-9-13-12-20-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,20H,1-2,5-6,9-11H2,(H,19,22)(H,21,23)
InChIKeyAVVCBNCZVGFYQF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.28
Rot. Bonds6

About N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide

N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide (PubChem CID 108942165) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
PubChem CID108942165
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
SMILESO=C(CC(=O)NC1CCCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c22-17(11-18(23)21-14-5-1-2-6-14)19-10-9-13-12-20-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,20H,1-2,5-6,9-11H2,(H,19,22)(H,21,23)
InChIKeyAVVCBNCZVGFYQF-UHFFFAOYSA-N
XLogP2.28
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide?
The IUPAC name of N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide (CID 108942165) is N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide is O=C(CC(=O)NC1CCCC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide?
The InChIKey is AVVCBNCZVGFYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(11-18(23)21-14-5-1-2-6-14)19-10-9-13-12-20-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,20H,1-2,5-6,9-11H2,(H,19,22)(H,21,23).
What are the key properties of N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide?
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide has a molecular weight of 313.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide is sourced from PubChem (CID 108942165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).