1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea

C15H30N2O3 — CID 111542825

IUPAC1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea
SMILESCCOC(CCNC(=O)NC1CCCCC1O)C(C)C
InChIInChI=1S/C15H30N2O3/c1-4-20-14(11(2)3)9-10-16-15(19)17-12-7-5-6-8-13(12)18/h11-14,18H,4-10H2,1-3H3,(H2,16,17,19)
InChIKeyWONHNYPHZYIADQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.04
Rot. Bonds7

About 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea

1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 111542825) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea
PubChem CID111542825
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea
SMILESCCOC(CCNC(=O)NC1CCCCC1O)C(C)C
InChIInChI=1S/C15H30N2O3/c1-4-20-14(11(2)3)9-10-16-15(19)17-12-7-5-6-8-13(12)18/h11-14,18H,4-10H2,1-3H3,(H2,16,17,19)
InChIKeyWONHNYPHZYIADQ-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111542818
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
CID 111104304
N-(3-ethoxy-4-methylpentyl)piperidine-2-carboxamide;hydrochloride
CID 119343233
1-ethoxy-3-(2-hydroxycyclohexyl)urea
CID 91661385
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
CID 111428425
1-cyclohexyl-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine;hydroiodide
CID 111546596
1-amino-N-(3-ethoxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 119343254
2-cyclopentyl-N-[2-[[N-(3-ethoxy-4-methylpentyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111716928
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
1-butyl-3-(2-propan-2-ylcyclohexyl)urea
CID 115610978
3-[[(2-hydroxycyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81070037

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea (CID 111542825) is 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea is CCOC(CCNC(=O)NC1CCCCC1O)C(C)C.
What is the InChIKey of 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is WONHNYPHZYIADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-20-14(11(2)3)9-10-16-15(19)17-12-7-5-6-8-13(12)18/h11-14,18H,4-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea?
1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 286.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 111542825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).