N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide

C23H31N3O4 — CID 134130402

IUPACN-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCCOC(OCC)c1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-5-28-23(29-6-2)20-9-7-18(8-10-20)17-24-25-22(27)19-11-13-21(14-12-19)30-16-15-26(3)4/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,25,27)/b24-17+
InChIKeyQHEZPPCHTPVDEB-JJIBRWJFSA-N
MW413.52 g/mol
LogP3.46
Rot. Bonds12

About N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide

N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 134130402) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide
PubChem CID134130402
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCCOC(OCC)c1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-5-28-23(29-6-2)20-9-7-18(8-10-20)17-24-25-22(27)19-11-13-21(14-12-19)30-16-15-26(3)4/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,25,27)/b24-17+
InChIKeyQHEZPPCHTPVDEB-JJIBRWJFSA-N
XLogP3.46
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[[4-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-(trifluoromethyl)benzamide
CID 6736164
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide (CID 134130402) is N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide is CCOC(OCC)c1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is QHEZPPCHTPVDEB-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-5-28-23(29-6-2)20-9-7-18(8-10-20)17-24-25-22(27)19-11-13-21(14-12-19)30-16-15-26(3)4/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,25,27)/b24-17+.
What are the key properties of N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.46, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethoxymethyl)phenyl]methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 134130402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).