N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide

C20H22N4O2 — CID 144587041

IUPACN-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CN(C)C(C)C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-14-5-4-6-18(11-14)22-19(25)13-24(3)15(2)20(26)23-17-9-7-16(12-21)8-10-17/h4-11,15H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyHGXXNNITJLZKIX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.76
Rot. Bonds6

About N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide

N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 144587041) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
PubChem CID144587041
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CN(C)C(C)C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-14-5-4-6-18(11-14)22-19(25)13-24(3)15(2)20(26)23-17-9-7-16(12-21)8-10-17/h4-11,15H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyHGXXNNITJLZKIX-UHFFFAOYSA-N
XLogP2.76
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
(2R)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-cyanophenyl)propanamide
CID 2462077
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 86931145
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
N-(3-cyanophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17425595
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide (CID 144587041) is N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide is Cc1cccc(NC(=O)CN(C)C(C)C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is HGXXNNITJLZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-5-4-6-18(11-14)22-19(25)13-24(3)15(2)20(26)23-17-9-7-16(12-21)8-10-17/h4-11,15H,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 144587041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).