1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea

C13H17N3O2 — CID 110675938

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
SMILESCOCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-18-9-16-13(17)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8,15H,6-7,9H2,1H3,(H2,14,16,17)
InChIKeyBXDCVNKYZFEGSS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea

1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea (PubChem CID 110675938) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
PubChem CID110675938
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
SMILESCOCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-18-9-16-13(17)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8,15H,6-7,9H2,1H3,(H2,14,16,17)
InChIKeyBXDCVNKYZFEGSS-UHFFFAOYSA-N
XLogP1.61
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879613
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea (CID 110675938) is 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea is COCNC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea?
The InChIKey is BXDCVNKYZFEGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-9-16-13(17)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8,15H,6-7,9H2,1H3,(H2,14,16,17).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea?
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea has a molecular weight of 247.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea is sourced from PubChem (CID 110675938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).