1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea

C15H28N2O3 — CID 111796728

IUPAC1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCC1CCCOC1C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-7-17(8-9-18)15(19)16-11-13-6-5-10-20-14(13)12(2)3/h4,12-14,18H,1,5-11H2,2-3H3,(H,16,19)
InChIKeyRGDOPDHBZSCCSA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.63
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea (PubChem CID 111796728) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea
PubChem CID111796728
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCC1CCCOC1C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-7-17(8-9-18)15(19)16-11-13-6-5-10-20-14(13)12(2)3/h4,12-14,18H,1,5-11H2,2-3H3,(H,16,19)
InChIKeyRGDOPDHBZSCCSA-UHFFFAOYSA-N
XLogP1.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.63
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

1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
CID 111424305
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
CID 86964529
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea (CID 111796728) is 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea is C=CCN(CCO)C(=O)NCC1CCCOC1C(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea?
The InChIKey is RGDOPDHBZSCCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-17(8-9-18)15(19)16-11-13-6-5-10-20-14(13)12(2)3/h4,12-14,18H,1,5-11H2,2-3H3,(H,16,19).
What are the key properties of 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea has a molecular weight of 284.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea is sourced from PubChem (CID 111796728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).