1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

C20H23N3O2 — CID 111435148

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)NCc3ccccc3CO)c12
InChIInChI=1S/C20H23N3O2/c1-14-5-4-8-18-19(14)16(12-22-18)9-10-21-20(25)23-11-15-6-2-3-7-17(15)13-24/h2-8,12,22,24H,9-11,13H2,1H3,(H2,21,23,25)
InChIKeyJVNHDSULIHUTHK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.01
Rot. Bonds6

About 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 111435148) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID111435148
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)NCc3ccccc3CO)c12
InChIInChI=1S/C20H23N3O2/c1-14-5-4-8-18-19(14)16(12-22-18)9-10-21-20(25)23-11-15-6-2-3-7-17(15)13-24/h2-8,12,22,24H,9-11,13H2,1H3,(H2,21,23,25)
InChIKeyJVNHDSULIHUTHK-UHFFFAOYSA-N
XLogP3.01
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 120610465
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 86888355
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95308042
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95308041
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (CID 111435148) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is Cc1cccc2[nH]cc(CCNC(=O)NCc3ccccc3CO)c12.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is JVNHDSULIHUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-5-4-8-18-19(14)16(12-22-18)9-10-21-20(25)23-11-15-6-2-3-7-17(15)13-24/h2-8,12,22,24H,9-11,13H2,1H3,(H2,21,23,25).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 337.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 111435148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).