3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea

C18H20N4O3 — CID 75475921

IUPAC3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H20N4O3/c1-22(2)18(24)20-10-9-19-17(23)21-12-7-8-14-13-5-3-4-6-15(13)25-16(14)11-12/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H2,19,21,23)
InChIKeyWWTIQMNLQTWJHB-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds4

About 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea

3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea (PubChem CID 75475921) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
PubChem CID75475921
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H20N4O3/c1-22(2)18(24)20-10-9-19-17(23)21-12-7-8-14-13-5-3-4-6-15(13)25-16(14)11-12/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H2,19,21,23)
InChIKeyWWTIQMNLQTWJHB-UHFFFAOYSA-N
XLogP2.98
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
CID 111473777
1-dibenzofuran-3-yl-3-[2-(triazol-1-yl)ethyl]urea
CID 75476584
1-dibenzofuran-3-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 86967249
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
phenyl N-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]-N-methylcarbamate
CID 126004369
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304
(2E)-N-dibenzofuran-3-yl-2-hydroxyiminoacetamide
CID 10999588
[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2915941
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea (CID 75475921) is 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea?
The InChIKey is WWTIQMNLQTWJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22(2)18(24)20-10-9-19-17(23)21-12-7-8-14-13-5-3-4-6-15(13)25-16(14)11-12/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H2,19,21,23).
What are the key properties of 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea?
3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea has a molecular weight of 340.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 75475921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).