3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea

C20H22N2O2 — CID 86952421

IUPAC3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
SMILESCc1cc(CNC(=O)N(C)Cc2cccc3ccccc23)c(C)o1
InChIInChI=1S/C20H22N2O2/c1-14-11-18(15(2)24-14)12-21-20(23)22(3)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyCWXKMPBOUNBWAI-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.39
Rot. Bonds4

About 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea

3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea (PubChem CID 86952421) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
PubChem CID86952421
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
SMILESCc1cc(CNC(=O)N(C)Cc2cccc3ccccc23)c(C)o1
InChIInChI=1S/C20H22N2O2/c1-14-11-18(15(2)24-14)12-21-20(23)22(3)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyCWXKMPBOUNBWAI-UHFFFAOYSA-N
XLogP4.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 119073868
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86952615
propan-2-yl 3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]propanoate
CID 87002837
N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 86950363
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-(N-methylanilino)propyl]urea
CID 86952276
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
CID 87008976
3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46594171
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
CID 71960718

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea (CID 86952421) is 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea is Cc1cc(CNC(=O)N(C)Cc2cccc3ccccc23)c(C)o1.
What is the InChIKey of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The InChIKey is CWXKMPBOUNBWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-11-18(15(2)24-14)12-21-20(23)22(3)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-11H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea has a molecular weight of 322.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 86952421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).