1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea

C17H22N2O4 — CID 111459237

IUPAC1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
SMILESCC(c1ccco1)N(C)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C17H22N2O4/c1-13(15-8-5-10-22-15)19(2)17(21)18-12-14-6-3-4-7-16(14)23-11-9-20/h3-8,10,13,20H,9,11-12H2,1-2H3,(H,18,21)
InChIKeyBMVOUOIPFKQIKQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.55
Rot. Bonds7

About 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea

1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea (PubChem CID 111459237) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
PubChem CID111459237
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
SMILESCC(c1ccco1)N(C)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C17H22N2O4/c1-13(15-8-5-10-22-15)19(2)17(21)18-12-14-6-3-4-7-16(14)23-11-9-20/h3-8,10,13,20H,9,11-12H2,1-2H3,(H,18,21)
InChIKeyBMVOUOIPFKQIKQ-UHFFFAOYSA-N
XLogP2.55
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 111459238
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
CID 111459234
1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea
CID 146083195
3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea
CID 95263067
3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea
CID 95263064
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
3-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-methyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95774462
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425426

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea (CID 111459237) is 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea is CC(c1ccco1)N(C)C(=O)NCc1ccccc1OCCO.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea?
The InChIKey is BMVOUOIPFKQIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13(15-8-5-10-22-15)19(2)17(21)18-12-14-6-3-4-7-16(14)23-11-9-20/h3-8,10,13,20H,9,11-12H2,1-2H3,(H,18,21).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea?
1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea has a molecular weight of 318.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea is sourced from PubChem (CID 111459237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).