1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea

C19H30N2O3 — CID 111795145

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea
SMILESCOC(C)(C)CC(C)NC(=O)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C19H30N2O3/c1-14(13-19(2,3)24-4)20-18(23)21(11-12-22)17-10-9-15-7-5-6-8-16(15)17/h5-8,14,17,22H,9-13H2,1-4H3,(H,20,23)
InChIKeyIQVAMDOZWVNGKA-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.88
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea

1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea (PubChem CID 111795145) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea
PubChem CID111795145
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea
SMILESCOC(C)(C)CC(C)NC(=O)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C19H30N2O3/c1-14(13-19(2,3)24-4)20-18(23)21(11-12-22)17-10-9-15-7-5-6-8-16(15)17/h5-8,14,17,22H,9-13H2,1-4H3,(H,20,23)
InChIKeyIQVAMDOZWVNGKA-UHFFFAOYSA-N
XLogP2.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea with MolForge

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Related Compounds

3-(dicyclopropylmethyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793689
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
CID 99579006
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790491
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97089452
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea (CID 111795145) is 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea is COC(C)(C)CC(C)NC(=O)N(CCO)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea?
The InChIKey is IQVAMDOZWVNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(13-19(2,3)24-4)20-18(23)21(11-12-22)17-10-9-15-7-5-6-8-16(15)17/h5-8,14,17,22H,9-13H2,1-4H3,(H,20,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea has a molecular weight of 334.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 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)-1-(2-hydroxyethyl)-3-(4-methoxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 111795145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).