1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea

C17H23N3O3 — CID 95572777

IUPAC1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOCCn1ccc2cc(NC(=O)NC[C@@H]3CCCO3)ccc21
InChIInChI=1S/C17H23N3O3/c1-22-10-8-20-7-6-13-11-14(4-5-16(13)20)19-17(21)18-12-15-3-2-9-23-15/h4-7,11,15H,2-3,8-10,12H2,1H3,(H2,18,19,21)/t15-/m0/s1
InChIKeyNUWNDBONQGIJLK-HNNXBMFYSA-N
MW317.39 g/mol
LogP2.59
Rot. Bonds6

About 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea

1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 95572777) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID95572777
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOCCn1ccc2cc(NC(=O)NC[C@@H]3CCCO3)ccc21
InChIInChI=1S/C17H23N3O3/c1-22-10-8-20-7-6-13-11-14(4-5-16(13)20)19-17(21)18-12-15-3-2-9-23-15/h4-7,11,15H,2-3,8-10,12H2,1H3,(H2,18,19,21)/t15-/m0/s1
InChIKeyNUWNDBONQGIJLK-HNNXBMFYSA-N
XLogP2.59
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
CID 96518060
1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 78882935
N-[1-(2-methoxyethyl)indol-6-yl]-2-(oxolan-2-ylmethoxy)propanamide
CID 75440615
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide
CID 96557798
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
dimethyl 5-(oxolan-2-ylmethylcarbamoylamino)benzene-1,3-dicarboxylate
CID 3788789
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 95572777) is 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea is COCCn1ccc2cc(NC(=O)NC[C@@H]3CCCO3)ccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is NUWNDBONQGIJLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-22-10-8-20-7-6-13-11-14(4-5-16(13)20)19-17(21)18-12-15-3-2-9-23-15/h4-7,11,15H,2-3,8-10,12H2,1H3,(H2,18,19,21)/t15-/m0/s1.
What are the key properties of 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 317.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95572777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).