2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide

C27H29N3O2 — CID 60513634

IUPAC2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C27H29N3O2/c1-3-30(4-2)17-18-32-26-16-10-6-12-22(26)20-29-27(31)25-15-9-8-14-24(25)23-13-7-5-11-21(23)19-28/h5-16H,3-4,17-18,20H2,1-2H3,(H,29,31)
InChIKeyNNALPCQRKPCJFE-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.88
Rot. Bonds10

About 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide

2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide (PubChem CID 60513634) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
PubChem CID60513634
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C27H29N3O2/c1-3-30(4-2)17-18-32-26-16-10-6-12-22(26)20-29-27(31)25-15-9-8-14-24(25)23-13-7-5-11-21(23)19-28/h5-16H,3-4,17-18,20H2,1-2H3,(H,29,31)
InChIKeyNNALPCQRKPCJFE-UHFFFAOYSA-N
XLogP4.88
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
CID 55959747
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
2-chloro-N-[1-[[2-[2-(diethylamino)ethoxy]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55715360
2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55783471
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 112833774
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60513635

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide (CID 60513634) is 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide is CCN(CC)CCOc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
The InChIKey is NNALPCQRKPCJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-3-30(4-2)17-18-32-26-16-10-6-12-22(26)20-29-27(31)25-15-9-8-14-24(25)23-13-7-5-11-21(23)19-28/h5-16H,3-4,17-18,20H2,1-2H3,(H,29,31).
What are the key properties of 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide?
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 60513634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).