N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C24H30N2O7 — CID 24819703

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1OC
InChIInChI=1S/C24H30N2O7/c1-29-19-6-4-17(14-21(19)30-2)8-9-25-24(28)18-5-7-20(22(15-18)31-3)33-16-23(27)26-10-12-32-13-11-26/h4-7,14-15H,8-13,16H2,1-3H3,(H,25,28)
InChIKeyQQEAIGFAHXPORY-UHFFFAOYSA-N
MW458.51 g/mol
LogP1.92
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 24819703) has the molecular formula C24H30N2O7 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID24819703
Molecular FormulaC24H30N2O7
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1OC
InChIInChI=1S/C24H30N2O7/c1-29-19-6-4-17(14-21(19)30-2)8-9-25-24(28)18-5-7-20(22(15-18)31-3)33-16-23(27)26-10-12-32-13-11-26/h4-7,14-15H,8-13,16H2,1-3H3,(H,25,28)
InChIKeyQQEAIGFAHXPORY-UHFFFAOYSA-N
XLogP1.92
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 24819703) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1ccc(CCNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is QQEAIGFAHXPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7/c1-29-19-6-4-17(14-21(19)30-2)8-9-25-24(28)18-5-7-20(22(15-18)31-3)33-16-23(27)26-10-12-32-13-11-26/h4-7,14-15H,8-13,16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 458.51 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 24819703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).