1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea

C14H20N2O3 — CID 110901111

IUPAC1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-8-15-14(18)16(9-10-17)11-12-6-4-5-7-13(12)19-2/h3-7,17H,1,8-11H2,2H3,(H,15,18)
InChIKeyKEZCXHLTORRRME-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.39
Rot. Bonds7

About 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea

1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea (PubChem CID 110901111) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
PubChem CID110901111
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-8-15-14(18)16(9-10-17)11-12-6-4-5-7-13(12)19-2/h3-7,17H,1,8-11H2,2H3,(H,15,18)
InChIKeyKEZCXHLTORRRME-UHFFFAOYSA-N
XLogP1.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.39
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

N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79279066
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 55819269
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 94015388
3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901348
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 47764929

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea (CID 110901111) is 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea is C=CCNC(=O)N(CCO)Cc1ccccc1OC.
What is the InChIKey of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea?
The InChIKey is KEZCXHLTORRRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-8-15-14(18)16(9-10-17)11-12-6-4-5-7-13(12)19-2/h3-7,17H,1,8-11H2,2H3,(H,15,18).
What are the key properties of 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea?
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea has a molecular weight of 264.33 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea is sourced from PubChem (CID 110901111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).