1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea

C15H30N2O2 — CID 111455212

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
SMILESCC(C)C1CCCCC1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C15H30N2O2/c1-10(2)13-7-5-6-8-14(13)17-15(19)16-12(4)11(3)9-18/h10-14,18H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyBSYIKTSGNJJKDG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea (PubChem CID 111455212) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
PubChem CID111455212
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
SMILESCC(C)C1CCCCC1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C15H30N2O2/c1-10(2)13-7-5-6-8-14(13)17-15(19)16-12(4)11(3)9-18/h10-14,18H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyBSYIKTSGNJJKDG-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840883
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
1-butyl-3-(2-propan-2-ylcyclohexyl)urea
CID 115610978
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
N-propan-2-yl-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]cyclohexane-1-carboxamide
CID 86962853
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
CID 111424305
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389
(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 100857700
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 81489736

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea (CID 111455212) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea is CC(C)C1CCCCC1NC(=O)NC(C)C(C)CO.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea?
The InChIKey is BSYIKTSGNJJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-10(2)13-7-5-6-8-14(13)17-15(19)16-12(4)11(3)9-18/h10-14,18H,5-9H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea has a molecular weight of 270.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 111455212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).