1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C19H22N2O3 — CID 110908005

IUPAC1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOc1cc(C)ccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C19H22N2O3/c1-3-24-17-10-12(2)8-9-15(17)20-19(23)21-18-14-7-5-4-6-13(14)11-16(18)22/h4-10,16,18,22H,3,11H2,1-2H3,(H2,20,21,23)/t16-,18+/m0/s1
InChIKeySPAXTXHVZPRQMK-FUHWJXTLSA-N
MW326.40 g/mol
LogP3.17
Rot. Bonds4

About 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110908005) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110908005
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOc1cc(C)ccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C19H22N2O3/c1-3-24-17-10-12(2)8-9-15(17)20-19(23)21-18-14-7-5-4-6-13(14)11-16(18)22/h4-10,16,18,22H,3,11H2,1-2H3,(H2,20,21,23)/t16-,18+/m0/s1
InChIKeySPAXTXHVZPRQMK-FUHWJXTLSA-N
XLogP3.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60591170
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-ethoxy-4-methylphenyl)acetamide
CID 86955608
3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110903509
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 75523399
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
1-(4-bromo-2,6-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 52860459
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
3-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 136578177
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110908005) is 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CCOc1cc(C)ccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is SPAXTXHVZPRQMK-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-17-10-12(2)8-9-15(17)20-19(23)21-18-14-7-5-4-6-13(14)11-16(18)22/h4-10,16,18,22H,3,11H2,1-2H3,(H2,20,21,23)/t16-,18+/m0/s1.
What are the key properties of 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110908005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).