N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide

C22H26N2O5 — CID 110352783

IUPACN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCOCC2(C)C)cc1
InChIInChI=1S/C22H26N2O5/c1-22(2)14-29-13-12-24(22)21(26)15-8-10-16(11-9-15)23-20(25)19-17(27-3)6-5-7-18(19)28-4/h5-11H,12-14H2,1-4H3,(H,23,25)
InChIKeyAMVQSOOVJUIKNB-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.21
Rot. Bonds5

About N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide (PubChem CID 110352783) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
PubChem CID110352783
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCOCC2(C)C)cc1
InChIInChI=1S/C22H26N2O5/c1-22(2)14-29-13-12-24(22)21(26)15-8-10-16(11-9-15)23-20(25)19-17(27-3)6-5-7-18(19)28-4/h5-11H,12-14H2,1-4H3,(H,23,25)
InChIKeyAMVQSOOVJUIKNB-UHFFFAOYSA-N
XLogP3.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 110352809
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110408869
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 23095359
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-methoxybenzamide
CID 110637636

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide (CID 110352783) is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCOCC2(C)C)cc1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide?
The InChIKey is AMVQSOOVJUIKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-22(2)14-29-13-12-24(22)21(26)15-8-10-16(11-9-15)23-20(25)19-17(27-3)6-5-7-18(19)28-4/h5-11H,12-14H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide?
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide has a molecular weight of 398.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110352783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).