1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea

C17H34N2O2 — CID 112828680

IUPAC1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)NCCOC1CCCCC1C
InChIInChI=1S/C17H34N2O2/c1-13(2)9-10-15(4)19-17(20)18-11-12-21-16-8-6-5-7-14(16)3/h13-16H,5-12H2,1-4H3,(H2,18,19,20)
InChIKeyJIPPWBFIXJMYGW-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.71
Rot. Bonds8

About 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea

1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea (PubChem CID 112828680) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
PubChem CID112828680
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)NCCOC1CCCCC1C
InChIInChI=1S/C17H34N2O2/c1-13(2)9-10-15(4)19-17(20)18-11-12-21-16-8-6-5-7-14(16)3/h13-16H,5-12H2,1-4H3,(H2,18,19,20)
InChIKeyJIPPWBFIXJMYGW-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 124850689
1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 99846542
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 129432106
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781475
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95130552
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 124728449
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
CID 95573643
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butanamide;hydrochloride
CID 119723107

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea?
The IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea (CID 112828680) is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea.
What is the SMILES notation for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea?
The canonical SMILES for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea is CC(C)CCC(C)NC(=O)NCCOC1CCCCC1C.
What is the InChIKey of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea?
The InChIKey is JIPPWBFIXJMYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)9-10-15(4)19-17(20)18-11-12-21-16-8-6-5-7-14(16)3/h13-16H,5-12H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea?
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea has a molecular weight of 298.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea is sourced from PubChem (CID 112828680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).