2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide

C23H30N2O5 — CID 10093227

IUPAC2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)cc1/N=C(\C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-8-25(9-2)23(26)17-13-21(29-6)22(30-7)14-18(17)24-15(3)16-10-11-19(27-4)20(12-16)28-5/h10-14H,8-9H2,1-7H3/b24-15+
InChIKeyHQRUSPMQCIZLGN-BUVRLJJBSA-N
MW414.50 g/mol
LogP4.34
Rot. Bonds9

About 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide

2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide (PubChem CID 10093227) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide
PubChem CID10093227
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)cc1/N=C(\C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-8-25(9-2)23(26)17-13-21(29-6)22(30-7)14-18(17)24-15(3)16-10-11-19(27-4)20(12-16)28-5/h10-14H,8-9H2,1-7H3/b24-15+
InChIKeyHQRUSPMQCIZLGN-BUVRLJJBSA-N
XLogP4.34
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide (CID 10093227) is 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide is CCN(CC)C(=O)c1cc(OC)c(OC)cc1/N=C(\C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide?
The InChIKey is HQRUSPMQCIZLGN-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-8-25(9-2)23(26)17-13-21(29-6)22(30-7)14-18(17)24-15(3)16-10-11-19(27-4)20(12-16)28-5/h10-14H,8-9H2,1-7H3/b24-15+.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide?
2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide has a molecular weight of 414.50 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)ethylideneamino]-N,N-diethyl-4,5-dimethoxybenzamide is sourced from PubChem (CID 10093227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).