1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea

C20H23N3O4 — CID 53089931

IUPAC1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(C)=O)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-13(24)23-9-8-15-10-14(4-7-18(15)23)12-21-20(25)22-17-6-5-16(26-2)11-19(17)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,25)
InChIKeyCQWLEJQJHFJSGB-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.93
Rot. Bonds5

About 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea

1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea (PubChem CID 53089931) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea
PubChem CID53089931
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(C)=O)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-13(24)23-9-8-15-10-14(4-7-18(15)23)12-21-20(25)22-17-6-5-16(26-2)11-19(17)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,25)
InChIKeyCQWLEJQJHFJSGB-UHFFFAOYSA-N
XLogP2.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677
methyl 2-[(1-acetyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]-4-chlorobenzoate
CID 53089927
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide
CID 53093533
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 3901633
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38073244
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155660

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea (CID 53089931) is 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(C)=O)c(OC)c1.
What is the InChIKey of 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is CQWLEJQJHFJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(24)23-9-8-15-10-14(4-7-18(15)23)12-21-20(25)22-17-6-5-16(26-2)11-19(17)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea?
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 369.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 53089931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).