1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea

C18H19N3O3 — CID 60614369

IUPAC1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H19N3O3/c22-11-9-19-18(24)20-15-6-3-5-14(12-15)17(23)21-10-8-13-4-1-2-7-16(13)21/h1-7,12,22H,8-11H2,(H2,19,20,24)
InChIKeyWLPNGQKZDRCGPK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds4

About 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea

1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 60614369) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
PubChem CID60614369
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H19N3O3/c22-11-9-19-18(24)20-15-6-3-5-14(12-15)17(23)21-10-8-13-4-1-2-7-16(13)21/h1-7,12,22H,8-11H2,(H2,19,20,24)
InChIKeyWLPNGQKZDRCGPK-UHFFFAOYSA-N
XLogP2.00
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea (CID 60614369) is 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is WLPNGQKZDRCGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-11-9-19-18(24)20-15-6-3-5-14(12-15)17(23)21-10-8-13-4-1-2-7-16(13)21/h1-7,12,22H,8-11H2,(H2,19,20,24).
What are the key properties of 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea?
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 325.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 60614369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).