N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide

C22H26N2O4 — CID 1313620

IUPACN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-15-4-6-18(7-5-15)22(26)23-19-12-16(2)21(17(3)13-19)28-14-20(25)24-8-10-27-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyCVWLYOZBDKKKGS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.10
Rot. Bonds5

About N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide

N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide (PubChem CID 1313620) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide
PubChem CID1313620
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-15-4-6-18(7-5-15)22(26)23-19-12-16(2)21(17(3)13-19)28-14-20(25)24-8-10-27-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyCVWLYOZBDKKKGS-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide?
The IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide (CID 1313620) is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1.
What is the InChIKey of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide?
The InChIKey is CVWLYOZBDKKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-4-6-18(7-5-15)22(26)23-19-12-16(2)21(17(3)13-19)28-14-20(25)24-8-10-27-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26).
What are the key properties of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide?
N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-methylbenzamide is sourced from PubChem (CID 1313620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).