N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C14H18N2O3 — CID 57306314

IUPACN-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESN#CCCN(CCOCCO)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-7-4-8-16(9-11-19-12-10-17)14(18)13-5-2-1-3-6-13/h1-3,5-6,17H,4,8-12H2
InChIKeyOVPHWMAAFKKHFN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds8

About N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide

N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 57306314) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID57306314
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESN#CCCN(CCOCCO)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-7-4-8-16(9-11-19-12-10-17)14(18)13-5-2-1-3-6-13/h1-3,5-6,17H,4,8-12H2
InChIKeyOVPHWMAAFKKHFN-UHFFFAOYSA-N
XLogP1.05
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
N,N-bis(2-cyanoethyl)pyridine-4-carboxamide
CID 51179878
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 57306314) is N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide is N#CCCN(CCOCCO)C(=O)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is OVPHWMAAFKKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-7-4-8-16(9-11-19-12-10-17)14(18)13-5-2-1-3-6-13/h1-3,5-6,17H,4,8-12H2.
What are the key properties of N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 262.31 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 57306314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).