1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

C18H18N2O4 — CID 51114097

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)OCO2)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H18N2O4/c21-18(19-9-12-5-6-16-17(7-12)23-11-22-16)20-10-14-8-13-3-1-2-4-15(13)24-14/h1-7,14H,8-11H2,(H2,19,20,21)
InChIKeyPWQQKFMHIFLVFT-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.22
Rot. Bonds4

About 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (PubChem CID 51114097) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
PubChem CID51114097
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)OCO2)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H18N2O4/c21-18(19-9-12-5-6-16-17(7-12)23-11-22-16)20-10-14-8-13-3-1-2-4-15(13)24-14/h1-7,14H,8-11H2,(H2,19,20,21)
InChIKeyPWQQKFMHIFLVFT-UHFFFAOYSA-N
XLogP2.22
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-1H-isochromen-3-ylmethyl)urea
CID 91626535
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylurea
CID 51118248
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(3-nitrophenyl)methyl]urea
CID 86855198
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylguanidine
CID 111380073
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylguanidine
CID 111950181
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 86995980
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 2160645
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]urea
CID 52521712

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (CID 51114097) is 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is O=C(NCc1ccc2c(c1)OCO2)NCC1Cc2ccccc2O1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The InChIKey is PWQQKFMHIFLVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-18(19-9-12-5-6-16-17(7-12)23-11-22-16)20-10-14-8-13-3-1-2-4-15(13)24-14/h1-7,14H,8-11H2,(H2,19,20,21).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea has a molecular weight of 326.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is sourced from PubChem (CID 51114097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).