2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide

C13H18N4O2 — CID 145108126

IUPAC2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESC=NN(N=C)c1ccccc1C(=O)N(CC)CCO
InChIInChI=1S/C13H18N4O2/c1-4-16(9-10-18)13(19)11-7-5-6-8-12(11)17(14-2)15-3/h5-8,18H,2-4,9-10H2,1H3
InChIKeyFVBUITHNZOLVAU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.18
Rot. Bonds7

About 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide

2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide (PubChem CID 145108126) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide
PubChem CID145108126
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESC=NN(N=C)c1ccccc1C(=O)N(CC)CCO
InChIInChI=1S/C13H18N4O2/c1-4-16(9-10-18)13(19)11-7-5-6-8-12(11)17(14-2)15-3/h5-8,18H,2-4,9-10H2,1H3
InChIKeyFVBUITHNZOLVAU-UHFFFAOYSA-N
XLogP1.18
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
N-ethyl-N-(2-hydroxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547574
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
N,N-diethyl-2-(N,2,3-trimethylanilino)benzamide
CID 25179558
N-ethyl-N-(2-hydroxyethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 78884731
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
N-(2-hydroxyethyl)-N-methyl-2-(N-methylanilino)benzamide
CID 110893882
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 60670695
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666

Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide (CID 145108126) is 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide is C=NN(N=C)c1ccccc1C(=O)N(CC)CCO.
What is the InChIKey of 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is FVBUITHNZOLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-16(9-10-18)13(19)11-7-5-6-8-12(11)17(14-2)15-3/h5-8,18H,2-4,9-10H2,1H3.
What are the key properties of 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide?
2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylideneamino)amino]-N-ethyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 145108126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).