4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide

C22H18N2O4 — CID 6219188

IUPAC4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C2/C(=O)c3cccc4cccc2c34)cc1OC
InChIInChI=1S/C22H18N2O4/c1-3-28-17-11-10-14(12-18(17)27-2)22(26)24-23-20-15-8-4-6-13-7-5-9-16(19(13)15)21(20)25/h4-12H,3H2,1-2H3,(H,24,26)/b23-20+
InChIKeyQENVVPMTVCWSSJ-BSYVCWPDSA-N
MW374.40 g/mol
LogP3.58
Rot. Bonds5

About 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide

4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide (PubChem CID 6219188) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
PubChem CID6219188
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C2/C(=O)c3cccc4cccc2c34)cc1OC
InChIInChI=1S/C22H18N2O4/c1-3-28-17-11-10-14(12-18(17)27-2)22(26)24-23-20-15-8-4-6-13-7-5-9-16(19(13)15)21(20)25/h4-12H,3H2,1-2H3,(H,24,26)/b23-20+
InChIKeyQENVVPMTVCWSSJ-BSYVCWPDSA-N
XLogP3.58
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
CID 6027685
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
4-ethoxy-N-(9H-fluoren-2-yl)-3-methoxybenzamide
CID 26889772
N-[(E)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126308931
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 137068504
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide (CID 6219188) is 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is CCOc1ccc(C(=O)N/N=C2/C(=O)c3cccc4cccc2c34)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The InChIKey is QENVVPMTVCWSSJ-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-3-28-17-11-10-14(12-18(17)27-2)22(26)24-23-20-15-8-4-6-13-7-5-9-16(19(13)15)21(20)25/h4-12H,3H2,1-2H3,(H,24,26)/b23-20+.
What are the key properties of 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is sourced from PubChem (CID 6219188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).