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

C22H25N5O3 — CID 2535580

IUPACN-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H25N5O3/c1-26(15-21(28)24-18-4-2-17(14-23)3-5-18)16-22(29)25-19-6-8-20(9-7-19)27-10-12-30-13-11-27/h2-9H,10-13,15-16H2,1H3,(H,24,28)(H,25,29)
InChIKeyHFFHUVQYLYAALS-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.90
Rot. Bonds7

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

N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 2535580) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
PubChem CID2535580
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H25N5O3/c1-26(15-21(28)24-18-4-2-17(14-23)3-5-18)16-22(29)25-19-6-8-20(9-7-19)27-10-12-30-13-11-27/h2-9H,10-13,15-16H2,1H3,(H,24,28)(H,25,29)
InChIKeyHFFHUVQYLYAALS-UHFFFAOYSA-N
XLogP1.90
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (CID 2535580) is N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is HFFHUVQYLYAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-26(15-21(28)24-18-4-2-17(14-23)3-5-18)16-22(29)25-19-6-8-20(9-7-19)27-10-12-30-13-11-27/h2-9H,10-13,15-16H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 407.47 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 2535580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).