1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea

C16H32N2O2 — CID 111455561

IUPAC1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea
SMILESCC(O)CC(C)CNC(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C16H32N2O2/c1-12-5-4-6-15(10-12)7-8-17-16(20)18-11-13(2)9-14(3)19/h12-15,19H,4-11H2,1-3H3,(H2,17,18,20)
InChIKeyRDUGBQLKCBALGT-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.91
Rot. Bonds7

About 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea

1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea (PubChem CID 111455561) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea
PubChem CID111455561
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea
SMILESCC(O)CC(C)CNC(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C16H32N2O2/c1-12-5-4-6-15(10-12)7-8-17-16(20)18-11-13(2)9-14(3)19/h12-15,19H,4-11H2,1-3H3,(H2,17,18,20)
InChIKeyRDUGBQLKCBALGT-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 78965782
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
CID 95628739
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
3-bromo-N-[2-(3-methylcyclohexyl)ethyl]prop-2-ynamide
CID 130918142
2-hydroxy-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 103430075
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
2-cyclopentyl-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447247
2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide;hydrochloride
CID 119783122
1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 55933177

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea (CID 111455561) is 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea is CC(O)CC(C)CNC(=O)NCCC1CCCC(C)C1.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea?
The InChIKey is RDUGBQLKCBALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12-5-4-6-15(10-12)7-8-17-16(20)18-11-13(2)9-14(3)19/h12-15,19H,4-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea?
1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea has a molecular weight of 284.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea is sourced from PubChem (CID 111455561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).