N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide

C15H20N4O2 — CID 43215756

IUPACN-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)N(C)C
InChIInChI=1S/C15H20N4O2/c1-11(19(4)10-14(20)18(2)3)15(21)17-13-7-5-12(9-16)6-8-13/h5-8,11H,10H2,1-4H3,(H,17,21)
InChIKeyYBXMRMLVFQWTFL-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.91
Rot. Bonds5

About N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide

N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 43215756) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
PubChem CID43215756
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)N(C)C
InChIInChI=1S/C15H20N4O2/c1-11(19(4)10-14(20)18(2)3)15(21)17-13-7-5-12(9-16)6-8-13/h5-8,11H,10H2,1-4H3,(H,17,21)
InChIKeyYBXMRMLVFQWTFL-UHFFFAOYSA-N
XLogP0.91
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 144587041
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63981461
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
CID 2658774
(2R)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-cyanophenyl)propanamide
CID 2462077
N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269553
N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479691
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide (CID 43215756) is N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide is CC(C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)N(C)C.
What is the InChIKey of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is YBXMRMLVFQWTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(19(4)10-14(20)18(2)3)15(21)17-13-7-5-12(9-16)6-8-13/h5-8,11H,10H2,1-4H3,(H,17,21).
What are the key properties of N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 288.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 43215756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).