N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C21H25N3O3 — CID 7551211

IUPACN,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16-3-5-17(6-4-16)21(26)23(2)15-20(25)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyMBOFIFFPNRZBDX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds5

About N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 7551211) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID7551211
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16-3-5-17(6-4-16)21(26)23(2)15-20(25)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyMBOFIFFPNRZBDX-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
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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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55347891
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
CID 166330937
3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 55605925
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
6-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 17437337
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55328476

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 7551211) is N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is MBOFIFFPNRZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-3-5-17(6-4-16)21(26)23(2)15-20(25)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25).
What are the key properties of N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7551211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).