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

C15H15N3O2 — CID 87013122

IUPAC3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
SMILESCC(c1ccco1)N(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O2/c1-11(14-4-3-9-20-14)18(2)15(19)17-13-7-5-12(10-16)6-8-13/h3-9,11H,1-2H3,(H,17,19)
InChIKeyGWDZEQGGWRXEOM-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.38
Rot. Bonds3

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

3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea (PubChem CID 87013122) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
PubChem CID87013122
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
SMILESCC(c1ccco1)N(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O2/c1-11(14-4-3-9-20-14)18(2)15(19)17-13-7-5-12(10-16)6-8-13/h3-9,11H,1-2H3,(H,17,19)
InChIKeyGWDZEQGGWRXEOM-UHFFFAOYSA-N
XLogP3.38
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea
CID 75371173
N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
CID 71984777
3-(4-cyanophenyl)-1-methyl-1-[(1R)-1-(3-nitrophenyl)ethyl]urea
CID 94034612
3-(4-cyanophenyl)-1-methyl-1-[1-(3-nitrophenyl)ethyl]urea
CID 47023587
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
1-(2-amino-1-cyclopropylethyl)-3-(4-cyanophenyl)-1-methylurea
CID 116652103
2-(4-cyanoanilino)-N,N-dimethylpropanamide
CID 43086047
(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide
CID 28835398
(E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 94642688

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea?
The IUPAC name of 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea (CID 87013122) is 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea is CC(c1ccco1)N(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea?
The InChIKey is GWDZEQGGWRXEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(14-4-3-9-20-14)18(2)15(19)17-13-7-5-12(10-16)6-8-13/h3-9,11H,1-2H3,(H,17,19).
What are the key properties of 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea?
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea has a molecular weight of 269.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea is sourced from PubChem (CID 87013122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).