N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide

C20H25N3O3 — CID 2330939

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-5-23(6-2)17-10-7-15(8-11-17)14-21-22-20(24)16-9-12-18(25-3)19(13-16)26-4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyZEXYZWICBLYCQD-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.31
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide

N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 2330939) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
PubChem CID2330939
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-5-23(6-2)17-10-7-15(8-11-17)14-21-22-20(24)16-9-12-18(25-3)19(13-16)26-4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyZEXYZWICBLYCQD-UHFFFAOYSA-N
XLogP3.31
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 6901552
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-(diethylamino)-N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 7928987
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide (CID 2330939) is N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide is CCN(CC)c1ccc(C=NNC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is ZEXYZWICBLYCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-23(6-2)17-10-7-15(8-11-17)14-21-22-20(24)16-9-12-18(25-3)19(13-16)26-4/h7-14H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide?
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 355.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2330939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).