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

C18H23N3O3 — CID 108943642

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)NCC1CCCO1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O3/c22-17(10-18(23)21-12-14-4-3-9-24-14)19-8-7-13-11-20-16-6-2-1-5-15(13)16/h1-2,5-6,11,14,20H,3-4,7-10,12H2,(H,19,22)(H,21,23)
InChIKeyRJEAXKRZYHZQMZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.51
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943642) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943642
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)NCC1CCCO1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O3/c22-17(10-18(23)21-12-14-4-3-9-24-14)19-8-7-13-11-20-16-6-2-1-5-15(13)16/h1-2,5-6,11,14,20H,3-4,7-10,12H2,(H,19,22)(H,21,23)
InChIKeyRJEAXKRZYHZQMZ-UHFFFAOYSA-N
XLogP1.51
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8653138
3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99945911
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119956844
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 110997142
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide (CID 108943642) is N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide is O=C(CC(=O)NCC1CCCO1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is RJEAXKRZYHZQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(10-18(23)21-12-14-4-3-9-24-14)19-8-7-13-11-20-16-6-2-1-5-15(13)16/h1-2,5-6,11,14,20H,3-4,7-10,12H2,(H,19,22)(H,21,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 329.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).