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

C16H22N2O2 — CID 124618765

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
SMILESC[C@]1(CNC(=O)NC2Cc3ccccc3C2)CCCO1
InChIInChI=1S/C16H22N2O2/c1-16(7-4-8-20-16)11-17-15(19)18-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyLMXHUQPWTAMMQR-MRXNPFEDSA-N
MW274.36 g/mol
LogP2.02
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea (PubChem CID 124618765) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
PubChem CID124618765
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
SMILESC[C@]1(CNC(=O)NC2Cc3ccccc3C2)CCCO1
InChIInChI=1S/C16H22N2O2/c1-16(7-4-8-20-16)11-17-15(19)18-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyLMXHUQPWTAMMQR-MRXNPFEDSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea with MolForge

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Related Compounds

cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173028
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307094
benzyl N-[3-[(2-methyloxolan-2-yl)methylamino]cyclobutyl]carbamate
CID 103393559
1-(2,3-dihydro-1H-indol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 80568063
N-[4-[(2-methyloxolan-2-yl)methylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573238
2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 107843074
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
1-(2,3-dihydro-1H-inden-2-yl)-3-[(4-methylsulfinylphenyl)methyl]urea
CID 86791983
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
CID 75522852

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea (CID 124618765) is 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea is C[C@]1(CNC(=O)NC2Cc3ccccc3C2)CCCO1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea?
The InChIKey is LMXHUQPWTAMMQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(7-4-8-20-16)11-17-15(19)18-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,18,19)/t16-/m1/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea has a molecular weight of 274.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea is sourced from PubChem (CID 124618765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).