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

C26H34N4O4 — CID 55328581

IUPAC3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)c1
InChIInChI=1S/C26H34N4O4/c1-18(2)24(28-25(32)20-7-5-6-19(3)16-20)26(33)29(4)17-23(31)27-21-8-10-22(11-9-21)30-12-14-34-15-13-30/h5-11,16,18,24H,12-15,17H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyNWJQRKDZWPVVEA-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.68
Rot. Bonds8

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

3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 55328581) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
PubChem CID55328581
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)c1
InChIInChI=1S/C26H34N4O4/c1-18(2)24(28-25(32)20-7-5-6-19(3)16-20)26(33)29(4)17-23(31)27-21-8-10-22(11-9-21)30-12-14-34-15-13-30/h5-11,16,18,24H,12-15,17H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyNWJQRKDZWPVVEA-UHFFFAOYSA-N
XLogP2.68
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.68
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

4-chloro-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55328563
2-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55504037
N-[(2R)-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25337091
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
N-[(2S)-1-[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55943008
(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 8960446
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 134048488
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide (CID 55328581) is 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide is Cc1cccc(C(=O)NC(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is NWJQRKDZWPVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-18(2)24(28-25(32)20-7-5-6-19(3)16-20)26(33)29(4)17-23(31)27-21-8-10-22(11-9-21)30-12-14-34-15-13-30/h5-11,16,18,24H,12-15,17H2,1-4H3,(H,27,31)(H,28,32).
What are the key properties of 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 466.58 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55328581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).