1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea

C11H15N3O2 — CID 57116545

IUPAC1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)N(CCO)N=Cc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-12-11(16)14(7-8-15)13-9-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,12,16)
InChIKeyCIBBGRFVQJPGLN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.65
Rot. Bonds4

About 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea

1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea (PubChem CID 57116545) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea
PubChem CID57116545
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)N(CCO)N=Cc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-12-11(16)14(7-8-15)13-9-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,12,16)
InChIKeyCIBBGRFVQJPGLN-UHFFFAOYSA-N
XLogP0.65
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate
CID 57098744
1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 54555643
1-[(E)-(4-fluorophenyl)methylideneamino]-3-[6-[[[(E)-(4-fluorophenyl)methylideneamino]-(2-hydroxyethyl)carbamoyl]amino]hexyl]-1-(2-hydroxyethyl)urea
CID 177447304
1-benzyl-1-(benzylideneamino)urea
CID 71443494
N-(benzylideneamino)-N-(methylcarbamothioyl)-2-phenylacetamide
CID 88723140
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide
CID 138392331
(E)-3-[[(E)-benzylideneamino]-methylamino]-2-methylprop-2-enoic acid
CID 87528276
N-[(Z)-benzylideneamino]-N-(3-oxo-2,3-diphenylpropyl)benzamide
CID 102043603
methyl 2-(benzylideneamino)acetate
CID 132550307
tert-butyl 2-[(benzylideneamino)-methylamino]acetate
CID 171137612
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574

Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea?
The IUPAC name of 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea (CID 57116545) is 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea.
What is the SMILES notation for 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea?
The canonical SMILES for 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea is CNC(=O)N(CCO)N=Cc1ccccc1.
What is the InChIKey of 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea?
The InChIKey is CIBBGRFVQJPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-12-11(16)14(7-8-15)13-9-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,12,16).
What are the key properties of 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea?
1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea has a molecular weight of 221.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea is sourced from PubChem (CID 57116545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).