N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide

C23H27N5O3 — CID 55351675

IUPACN-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27N5O3/c1-17(23(30)26-21-6-4-3-5-18(21)15-24)27(2)16-22(29)25-19-7-9-20(10-8-19)28-11-13-31-14-12-28/h3-10,17H,11-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNDBJLOIKMHFOGU-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.29
Rot. Bonds7

About N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide

N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 55351675) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
PubChem CID55351675
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H27N5O3/c1-17(23(30)26-21-6-4-3-5-18(21)15-24)27(2)16-22(29)25-19-7-9-20(10-8-19)28-11-13-31-14-12-28/h3-10,17H,11-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNDBJLOIKMHFOGU-UHFFFAOYSA-N
XLogP2.29
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
2-[[(1S)-1-cyanoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592711
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351803
N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351428
N-(2-cyanoethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 55439455
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (CID 55351675) is N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is CC(C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is NDBJLOIKMHFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-17(23(30)26-21-6-4-3-5-18(21)15-24)27(2)16-22(29)25-19-7-9-20(10-8-19)28-11-13-31-14-12-28/h3-10,17H,11-14,16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 421.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 55351675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).