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

C24H30N2O7 — CID 2927222

IUPACN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O7/c1-15-10-18(11-16(2)22(15)33-14-21(27)26-6-8-32-9-7-26)25-24(28)17-12-19(29-3)23(31-5)20(13-17)30-4/h10-13H,6-9,14H2,1-5H3,(H,25,28)
InChIKeyANODJSBBJYGIOF-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.82
Rot. Bonds8

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

N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2927222) has the molecular formula C24H30N2O7 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID2927222
Molecular FormulaC24H30N2O7
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O7/c1-15-10-18(11-16(2)22(15)33-14-21(27)26-6-8-32-9-7-26)25-24(28)17-12-19(29-3)23(31-5)20(13-17)30-4/h10-13H,6-9,14H2,1-5H3,(H,25,28)
InChIKeyANODJSBBJYGIOF-UHFFFAOYSA-N
XLogP2.82
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide (CID 2927222) is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc(OC)c1OC.
What is the InChIKey of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ANODJSBBJYGIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7/c1-15-10-18(11-16(2)22(15)33-14-21(27)26-6-8-32-9-7-26)25-24(28)17-12-19(29-3)23(31-5)20(13-17)30-4/h10-13H,6-9,14H2,1-5H3,(H,25,28).
What are the key properties of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide?
N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 458.51 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2927222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).