N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide

C23H28N4O4 — CID 46801790

IUPACN-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2ccccc2C#N)cc1OCC
InChIInChI=1S/C23H28N4O4/c1-5-30-20-12-11-18(13-21(20)31-6-2)25-22(28)15-27(4)16(3)23(29)26-19-10-8-7-9-17(19)14-24/h7-13,16H,5-6,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyPMVZSBSWKZYADB-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.25
Rot. Bonds10

About N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide

N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 46801790) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID46801790
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2ccccc2C#N)cc1OCC
InChIInChI=1S/C23H28N4O4/c1-5-30-20-12-11-18(13-21(20)31-6-2)25-22(28)15-27(4)16(3)23(29)26-19-10-8-7-9-17(19)14-24/h7-13,16H,5-6,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyPMVZSBSWKZYADB-UHFFFAOYSA-N
XLogP3.25
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351803
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(2-cyanophenyl)propanamide
CID 46561910
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708096
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
2-(3,4-diethoxyanilino)benzonitrile
CID 28601733

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 46801790) is N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide is CCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2ccccc2C#N)cc1OCC.
What is the InChIKey of N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is PMVZSBSWKZYADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-30-20-12-11-18(13-21(20)31-6-2)25-22(28)15-27(4)16(3)23(29)26-19-10-8-7-9-17(19)14-24/h7-13,16H,5-6,15H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 424.50 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 46801790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).