2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C26H35N5O3 — CID 55831378

IUPAC2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESCN(CC(=O)NCC1CCN(c2ccccc2)C1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H35N5O3/c1-29(19-25(32)27-17-21-11-12-31(18-21)23-5-3-2-4-6-23)20-26(33)28-22-7-9-24(10-8-22)30-13-15-34-16-14-30/h2-10,21H,11-20H2,1H3,(H,27,32)(H,28,33)
InChIKeyWVLVKKUBXDLEEC-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.04
Rot. Bonds9

About 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 55831378) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
PubChem CID55831378
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESCN(CC(=O)NCC1CCN(c2ccccc2)C1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H35N5O3/c1-29(19-25(32)27-17-21-11-12-31(18-21)23-5-3-2-4-6-23)20-26(33)28-22-7-9-24(10-8-22)30-13-15-34-16-14-30/h2-10,21H,11-20H2,1H3,(H,27,32)(H,28,33)
InChIKeyWVLVKKUBXDLEEC-UHFFFAOYSA-N
XLogP2.04
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.04
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

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 55831378) is 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is CN(CC(=O)NCC1CCN(c2ccccc2)C1)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is WVLVKKUBXDLEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-29(19-25(32)27-17-21-11-12-31(18-21)23-5-3-2-4-6-23)20-26(33)28-22-7-9-24(10-8-22)30-13-15-34-16-14-30/h2-10,21H,11-20H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 55831378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).