N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide

C20H22N4O2 — CID 50949015

IUPACN-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
SMILESCNC(=O)CCN(C)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C20H22N4O2/c1-22-19(25)9-10-24(2)14-16-6-3-7-17(11-16)20(26)23-18-8-4-5-15(12-18)13-21/h3-8,11-12H,9-10,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFTXDLLKCJSTSIB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.38
Rot. Bonds7

About N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide

N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide (PubChem CID 50949015) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
PubChem CID50949015
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
SMILESCNC(=O)CCN(C)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C20H22N4O2/c1-22-19(25)9-10-24(2)14-16-6-3-7-17(11-16)20(26)23-18-8-4-5-15(12-18)13-21/h3-8,11-12H,9-10,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFTXDLLKCJSTSIB-UHFFFAOYSA-N
XLogP2.38
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
CID 87021499
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056658
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide (CID 50949015) is N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide is CNC(=O)CCN(C)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide?
The InChIKey is FTXDLLKCJSTSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-22-19(25)9-10-24(2)14-16-6-3-7-17(11-16)20(26)23-18-8-4-5-15(12-18)13-21/h3-8,11-12H,9-10,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide?
N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide is sourced from PubChem (CID 50949015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).