N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide

C22H26N2O3 — CID 110352784

IUPACN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3(C)C)cc2)cc1C
InChIInChI=1S/C22H26N2O3/c1-15-5-6-18(13-16(15)2)20(25)23-19-9-7-17(8-10-19)21(26)24-11-12-27-14-22(24,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,23,25)
InChIKeyOYQKRHOMJLDXPP-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.81
Rot. Bonds3

About N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide (PubChem CID 110352784) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
PubChem CID110352784
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3(C)C)cc2)cc1C
InChIInChI=1S/C22H26N2O3/c1-15-5-6-18(13-16(15)2)20(25)23-19-9-7-17(8-10-19)21(26)24-11-12-27-14-22(24,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,23,25)
InChIKeyOYQKRHOMJLDXPP-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110408865
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide (CID 110352784) is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3(C)C)cc2)cc1C.
What is the InChIKey of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is OYQKRHOMJLDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-5-6-18(13-16(15)2)20(25)23-19-9-7-17(8-10-19)21(26)24-11-12-27-14-22(24,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide?
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 110352784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).