1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea

C21H25N3O3 — CID 30375820

IUPAC1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
SMILESCCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1
InChIInChI=1S/C21H25N3O3/c1-3-5-12-27-18-9-6-16(7-10-18)22-21(26)23-17-8-11-19-15(13-17)14-20(25)24(19)4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H2,22,23,26)
InChIKeyCZNOBDFYTRQYCM-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.42
Rot. Bonds7

About 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea

1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea (PubChem CID 30375820) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
PubChem CID30375820
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
SMILESCCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1
InChIInChI=1S/C21H25N3O3/c1-3-5-12-27-18-9-6-16(7-10-18)22-21(26)23-17-8-11-19-15(13-17)14-20(25)24(19)4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H2,22,23,26)
InChIKeyCZNOBDFYTRQYCM-UHFFFAOYSA-N
XLogP4.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.42
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

N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-thiophen-2-ylurea
CID 30375764
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea
CID 30375844
1-(4-butoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524964
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376300
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
methyl 7-[(4-butoxyphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034921
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
N-(4-butoxyphenyl)butanamide
CID 4939679

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
The IUPAC name of 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea (CID 30375820) is 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea is CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
The InChIKey is CZNOBDFYTRQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-5-12-27-18-9-6-16(7-10-18)22-21(26)23-17-8-11-19-15(13-17)14-20(25)24(19)4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea?
1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea has a molecular weight of 367.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea is sourced from PubChem (CID 30375820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).