1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

C16H18N4O2 — CID 84515229

IUPAC1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C16H18N4O2/c1-20(2)14(15-4-3-9-22-15)11-18-16(21)19-13-7-5-12(10-17)6-8-13/h3-9,14H,11H2,1-2H3,(H2,18,19,21)
InChIKeyNTQBVMQBBBAUGO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (PubChem CID 84515229) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
PubChem CID84515229
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C16H18N4O2/c1-20(2)14(15-4-3-9-22-15)11-18-16(21)19-13-7-5-12(10-17)6-8-13/h3-9,14H,11H2,1-2H3,(H2,18,19,21)
InChIKeyNTQBVMQBBBAUGO-UHFFFAOYSA-N
XLogP2.58
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 52504835
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399
1-(2-cyano-4-fluorophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 78839937
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577768
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 112792249
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (CID 84515229) is 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is CN(C)C(CNC(=O)Nc1ccc(C#N)cc1)c1ccco1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The InChIKey is NTQBVMQBBBAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(2)14(15-4-3-9-22-15)11-18-16(21)19-13-7-5-12(10-17)6-8-13/h3-9,14H,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea has a molecular weight of 298.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 84515229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).