1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea

C20H27N3O2 — CID 47038967

IUPAC1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea
SMILESCN(Cc1ccccc1NC(=O)NCc1ccoc1)C1CCCCC1
InChIInChI=1S/C20H27N3O2/c1-23(18-8-3-2-4-9-18)14-17-7-5-6-10-19(17)22-20(24)21-13-16-11-12-25-15-16/h5-7,10-12,15,18H,2-4,8-9,13-14H2,1H3,(H2,21,22,24)
InChIKeyOXRTVAWYVRRYTF-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.37
Rot. Bonds6

About 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea

1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea (PubChem CID 47038967) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea
PubChem CID47038967
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea
SMILESCN(Cc1ccccc1NC(=O)NCc1ccoc1)C1CCCCC1
InChIInChI=1S/C20H27N3O2/c1-23(18-8-3-2-4-9-18)14-17-7-5-6-10-19(17)22-20(24)21-13-16-11-12-25-15-16/h5-7,10-12,15,18H,2-4,8-9,13-14H2,1H3,(H2,21,22,24)
InChIKeyOXRTVAWYVRRYTF-UHFFFAOYSA-N
XLogP4.37
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea?
The IUPAC name of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea (CID 47038967) is 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea?
The canonical SMILES for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea is CN(Cc1ccccc1NC(=O)NCc1ccoc1)C1CCCCC1.
What is the InChIKey of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea?
The InChIKey is OXRTVAWYVRRYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(18-8-3-2-4-9-18)14-17-7-5-6-10-19(17)22-20(24)21-13-16-11-12-25-15-16/h5-7,10-12,15,18H,2-4,8-9,13-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea?
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea has a molecular weight of 341.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(furan-3-ylmethyl)urea is sourced from PubChem (CID 47038967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).