1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea

C24H25N3O4 — CID 2330748

IUPAC1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCn1c2ccccc2c2cc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc21
InChIInChI=1S/C24H25N3O4/c1-5-27-19-9-7-6-8-17(19)18-12-15(10-11-20(18)27)25-24(28)26-16-13-21(29-2)23(31-4)22(14-16)30-3/h6-14H,5H2,1-4H3,(H2,25,26,28)
InChIKeyNCLJRQGBAMLFLD-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.48
Rot. Bonds6

About 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea

1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 2330748) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID2330748
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCn1c2ccccc2c2cc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc21
InChIInChI=1S/C24H25N3O4/c1-5-27-19-9-7-6-8-17(19)18-12-15(10-11-20(18)27)25-24(28)26-16-13-21(29-2)23(31-4)22(14-16)30-3/h6-14H,5H2,1-4H3,(H2,25,26,28)
InChIKeyNCLJRQGBAMLFLD-UHFFFAOYSA-N
XLogP5.48
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
CID 4566264
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
3-(dimethylsulfamoyl)-N-(9-ethylcarbazol-3-yl)-4-methoxybenzamide
CID 45374091
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate
CID 98399771
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 24538264

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea (CID 2330748) is 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea is CCn1c2ccccc2c2cc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is NCLJRQGBAMLFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-5-27-19-9-7-6-8-17(19)18-12-15(10-11-20(18)27)25-24(28)26-16-13-21(29-2)23(31-4)22(14-16)30-3/h6-14H,5H2,1-4H3,(H2,25,26,28).
What are the key properties of 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 419.48 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 2330748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).