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

C23H28N4O4 — CID 71944686

IUPACN-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C23H28N4O4/c1-26(23(30)16-24-21(28)15-18-5-3-2-4-6-18)17-22(29)25-19-7-9-20(10-8-19)27-11-13-31-14-12-27/h2-10H,11-17H2,1H3,(H,24,28)(H,25,29)
InChIKeyXPTAOBHZLBPTGP-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.28
Rot. Bonds8

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

N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 71944686) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID71944686
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C23H28N4O4/c1-26(23(30)16-24-21(28)15-18-5-3-2-4-6-18)17-22(29)25-19-7-9-20(10-8-19)27-11-13-31-14-12-27/h2-10H,11-17H2,1H3,(H,24,28)(H,25,29)
InChIKeyXPTAOBHZLBPTGP-UHFFFAOYSA-N
XLogP1.28
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9409472
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
3-(1,3-benzodioxol-5-yl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55455008
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 55487167
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
CID 55342172
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 71944686) is N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is XPTAOBHZLBPTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-26(23(30)16-24-21(28)15-18-5-3-2-4-6-18)17-22(29)25-19-7-9-20(10-8-19)27-11-13-31-14-12-27/h2-10H,11-17H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 424.50 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 71944686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).