1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea

C20H23N3O3 — CID 46384438

IUPAC1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2
InChIInChI=1S/C20H23N3O3/c1-26-13-5-11-21-20(25)22-17-9-8-15-10-12-23(18(15)14-17)19(24)16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H2,21,22,25)
InChIKeyVXZOMBXRNJSDGP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.05
Rot. Bonds6

About 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea

1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea (PubChem CID 46384438) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
PubChem CID46384438
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2
InChIInChI=1S/C20H23N3O3/c1-26-13-5-11-21-20(25)22-17-9-8-15-10-12-23(18(15)14-17)19(24)16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H2,21,22,25)
InChIKeyVXZOMBXRNJSDGP-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110303998
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46384423
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
CID 46384443

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea (CID 46384438) is 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2.
What is the InChIKey of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea?
The InChIKey is VXZOMBXRNJSDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-13-5-11-21-20(25)22-17-9-8-15-10-12-23(18(15)14-17)19(24)16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea?
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea has a molecular weight of 353.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 46384438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).