1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea

C17H26N2O2 — CID 111121271

IUPAC1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H26N2O2/c1-11(2)17(4,21)10-18-16(20)19-15-12(3)9-13-7-5-6-8-14(13)15/h5-8,11-12,15,21H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyCXVXLAXBDLQIOK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea

1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111121271) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111121271
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H26N2O2/c1-11(2)17(4,21)10-18-16(20)19-15-12(3)9-13-7-5-6-8-14(13)15/h5-8,11-12,15,21H,9-10H2,1-4H3,(H2,18,19,20)
InChIKeyCXVXLAXBDLQIOK-UHFFFAOYSA-N
XLogP2.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111506246
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614
3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
CID 110025348
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
N,2,2-trimethyl-3-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]propanamide
CID 99777424
1-[(2S)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 100861608
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484467

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (CID 111121271) is 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is CC1Cc2ccccc2C1NC(=O)NCC(C)(O)C(C)C.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is CXVXLAXBDLQIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)17(4,21)10-18-16(20)19-15-12(3)9-13-7-5-6-8-14(13)15/h5-8,11-12,15,21H,9-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111121271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).