N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide

C22H26N4O4 — CID 54840817

IUPACN,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N4O4/c1-25(2)21(28)16-6-8-18(9-7-16)23-15-20(27)24-19-5-3-4-17(14-19)22(29)26-10-12-30-13-11-26/h3-9,14,23H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyNRPMSZXGUGFUGC-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.91
Rot. Bonds6

About N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide

N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54840817) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54840817
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N4O4/c1-25(2)21(28)16-6-8-18(9-7-16)23-15-20(27)24-19-5-3-4-17(14-19)22(29)26-10-12-30-13-11-26/h3-9,14,23H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyNRPMSZXGUGFUGC-UHFFFAOYSA-N
XLogP1.91
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54831876
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54831877
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832065

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (CID 54840817) is N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is CN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is NRPMSZXGUGFUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-25(2)21(28)16-6-8-18(9-7-16)23-15-20(27)24-19-5-3-4-17(14-19)22(29)26-10-12-30-13-11-26/h3-9,14,23H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 410.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54840817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).