1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea

C23H30N4O — CID 91111671

IUPAC1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)cc1
InChIInChI=1S/C23H30N4O/c1-4-5-6-18-7-9-20(10-8-18)24-23(28)25-21-11-12-22-19(17-21)13-14-27(22)16-15-26(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H2,24,25,28)
InChIKeyGCKPMRCVCSROSY-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.19
Rot. Bonds8

About 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea

1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea (PubChem CID 91111671) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
PubChem CID91111671
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)cc1
InChIInChI=1S/C23H30N4O/c1-4-5-6-18-7-9-20(10-8-18)24-23(28)25-21-11-12-22-19(17-21)13-14-27(22)16-15-26(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H2,24,25,28)
InChIKeyGCKPMRCVCSROSY-UHFFFAOYSA-N
XLogP5.19
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dibutylamino)phenyl]-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91044427
1-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-[4-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 91231245
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 49498784
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 49499379
2-(1-adamantyl)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]acetamide
CID 20660002
N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 110830896
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
CID 175926008
CID 175926008
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea?
The IUPAC name of 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea (CID 91111671) is 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea?
The canonical SMILES for 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea is CCCCc1ccc(NC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea?
The InChIKey is GCKPMRCVCSROSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-4-5-6-18-7-9-20(10-8-18)24-23(28)25-21-11-12-22-19(17-21)13-14-27(22)16-15-26(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H2,24,25,28).
What are the key properties of 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea?
1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea has a molecular weight of 378.52 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea is sourced from PubChem (CID 91111671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).