1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea

C20H23N3O3 — CID 53089967

IUPAC1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
SMILESCCC(=O)N1CCc2cc(CNC(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C20H23N3O3/c1-3-19(24)23-10-9-15-11-14(7-8-18(15)23)13-21-20(25)22-16-5-4-6-17(12-16)26-2/h4-8,11-12H,3,9-10,13H2,1-2H3,(H2,21,22,25)
InChIKeyMAAVWIZPQOOUIH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.32
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea

1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea (PubChem CID 53089967) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
PubChem CID53089967
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
SMILESCCC(=O)N1CCc2cc(CNC(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C20H23N3O3/c1-3-19(24)23-10-9-15-11-14(7-8-18(15)23)13-21-20(25)22-16-5-4-6-17(12-16)26-2/h4-8,11-12H,3,9-10,13H2,1-2H3,(H2,21,22,25)
InChIKeyMAAVWIZPQOOUIH-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(1,3-benzodioxol-5-yl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53090017
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 53089931
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea (CID 53089967) is 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea is CCC(=O)N1CCc2cc(CNC(=O)Nc3cccc(OC)c3)ccc21.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
The InChIKey is MAAVWIZPQOOUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-19(24)23-10-9-15-11-14(7-8-18(15)23)13-21-20(25)22-16-5-4-6-17(12-16)26-2/h4-8,11-12H,3,9-10,13H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea?
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea has a molecular weight of 353.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea is sourced from PubChem (CID 53089967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).