1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C19H22N2O3 — CID 110904220

IUPAC1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOc1cccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C19H22N2O3/c1-2-24-15-8-5-6-13(10-15)12-20-19(23)21-18-16-9-4-3-7-14(16)11-17(18)22/h3-10,17-18,22H,2,11-12H2,1H3,(H2,20,21,23)/t17-,18+/m0/s1
InChIKeyKIASGYFIYRFHRL-ZWKOTPCHSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds5

About 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110904220) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110904220
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOc1cccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C19H22N2O3/c1-2-24-15-8-5-6-13(10-15)12-20-19(23)21-18-16-9-4-3-7-14(16)11-17(18)22/h3-10,17-18,22H,2,11-12H2,1H3,(H2,20,21,23)/t17-,18+/m0/s1
InChIKeyKIASGYFIYRFHRL-ZWKOTPCHSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
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1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea
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1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
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N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110904220) is 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CCOc1cccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is KIASGYFIYRFHRL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-15-8-5-6-13(10-15)12-20-19(23)21-18-16-9-4-3-7-14(16)11-17(18)22/h3-10,17-18,22H,2,11-12H2,1H3,(H2,20,21,23)/t17-,18+/m0/s1.
What are the key properties of 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110904220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).