1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea

C16H24N2O2 — CID 111452821

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2/c1-11(8-12(2)19)10-17-16(20)18-15-7-6-13-4-3-5-14(13)9-15/h6-7,9,11-12,19H,3-5,8,10H2,1-2H3,(H2,17,18,20)
InChIKeyOVXQCQJGGLGZBH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea

1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 111452821) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID111452821
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2/c1-11(8-12(2)19)10-17-16(20)18-15-7-6-13-4-3-5-14(13)9-15/h6-7,9,11-12,19H,3-5,8,10H2,1-2H3,(H2,17,18,20)
InChIKeyOVXQCQJGGLGZBH-UHFFFAOYSA-N
XLogP2.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 111447952
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea
CID 75416918
1-[3-(difluoromethyl)phenyl]-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95981533
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452989
1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95635554
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea (CID 111452821) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea is CC(O)CC(C)CNC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is OVXQCQJGGLGZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(8-12(2)19)10-17-16(20)18-15-7-6-13-4-3-5-14(13)9-15/h6-7,9,11-12,19H,3-5,8,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 111452821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).