N,N-bis(2-cyanoethyl)-2-ethoxybenzamide

C15H17N3O2 — CID 2207652

IUPACN,N-bis(2-cyanoethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C15H17N3O2/c1-2-20-14-8-4-3-7-13(14)15(19)18(11-5-9-16)12-6-10-17/h3-4,7-8H,2,5-6,11-12H2,1H3
InChIKeyBPQXZAKBJFDIQX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.35
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-ethoxybenzamide

N,N-bis(2-cyanoethyl)-2-ethoxybenzamide (PubChem CID 2207652) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-ethoxybenzamide
PubChem CID2207652
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN,N-bis(2-cyanoethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C15H17N3O2/c1-2-20-14-8-4-3-7-13(14)15(19)18(11-5-9-16)12-6-10-17/h3-4,7-8H,2,5-6,11-12H2,1H3
InChIKeyBPQXZAKBJFDIQX-UHFFFAOYSA-N
XLogP2.35
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
N-benzyl-N-(2-cyanoethyl)-2-(3-methylbutoxy)benzamide
CID 43911713
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
CID 107493431
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
2-ethoxybenzoyl bromide
CID 19426336

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-ethoxybenzamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-ethoxybenzamide (CID 2207652) is N,N-bis(2-cyanoethyl)-2-ethoxybenzamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-ethoxybenzamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-ethoxybenzamide?
The InChIKey is BPQXZAKBJFDIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-14-8-4-3-7-13(14)15(19)18(11-5-9-16)12-6-10-17/h3-4,7-8H,2,5-6,11-12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-ethoxybenzamide?
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-ethoxybenzamide is sourced from PubChem (CID 2207652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).