1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea

C14H24N2O3 — CID 109390182

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NCCC1=CCOCC1
InChIInChI=1S/C14H24N2O3/c1-16(10-13(17)12-2-3-12)14(18)15-7-4-11-5-8-19-9-6-11/h5,12-13,17H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyNFCXLMAVHVGRSM-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.14
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea

1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea (PubChem CID 109390182) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea
PubChem CID109390182
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NCCC1=CCOCC1
InChIInChI=1S/C14H24N2O3/c1-16(10-13(17)12-2-3-12)14(18)15-7-4-11-5-8-19-9-6-11/h5,12-13,17H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyNFCXLMAVHVGRSM-UHFFFAOYSA-N
XLogP1.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(5-bromothiophen-2-yl)ethyl]-1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97223592
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 109389130
1-(2,2-dicyclopropylethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 75482607
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97061097
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858733
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(3-methylbutyl)guanidine
CID 109377909
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 111859076
1-cyclopentyl-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109391303
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 75388439
3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
1-(2-cyclopentylethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 75432425

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea (CID 109390182) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea is CN(CC(O)C1CC1)C(=O)NCCC1=CCOCC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea?
The InChIKey is NFCXLMAVHVGRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(10-13(17)12-2-3-12)14(18)15-7-4-11-5-8-19-9-6-11/h5,12-13,17H,2-4,6-10H2,1H3,(H,15,18).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea has a molecular weight of 268.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea is sourced from PubChem (CID 109390182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).