1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

C19H22N2O3 — CID 111457998

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCCO)NC1CCc2ccccc21
InChIInChI=1S/C19H22N2O3/c22-11-12-24-18-8-4-2-6-15(18)13-20-19(23)21-17-10-9-14-5-1-3-7-16(14)17/h1-8,17,22H,9-13H2,(H2,20,21,23)
InChIKeyXHPMXZRCQYVZDD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (PubChem CID 111457998) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
PubChem CID111457998
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCCO)NC1CCc2ccccc21
InChIInChI=1S/C19H22N2O3/c22-11-12-24-18-8-4-2-6-15(18)13-20-19(23)21-17-10-9-14-5-1-3-7-16(14)17/h1-8,17,22H,9-13H2,(H2,20,21,23)
InChIKeyXHPMXZRCQYVZDD-UHFFFAOYSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458038
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
CID 51117969
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (CID 111457998) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1OCCO)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The InChIKey is XHPMXZRCQYVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-11-12-24-18-8-4-2-6-15(18)13-20-19(23)21-17-10-9-14-5-1-3-7-16(14)17/h1-8,17,22H,9-13H2,(H2,20,21,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111457998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).