N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide

C21H25N3O3 — CID 7406737

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-23(21(26)15-17-5-3-2-4-6-17)16-20(25)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyTUWPIHZQSUQKOI-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.16
Rot. Bonds6

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 7406737) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID7406737
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-23(21(26)15-17-5-3-2-4-6-17)16-20(25)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyTUWPIHZQSUQKOI-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide (CID 7406737) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is TUWPIHZQSUQKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(21(26)15-17-5-3-2-4-6-17)16-20(25)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h2-10H,11-16H2,1H3,(H,22,25).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 7406737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).