N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide

C20H26N2O3 — CID 2665776

IUPACN-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-6-22(7-2)17-10-8-16(9-11-17)21-20(23)15-12-18(24-4)14(3)19(13-15)25-5/h8-13H,6-7H2,1-5H3,(H,21,23)
InChIKeyIXQSSMNCFFGLFQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.11
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide

N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 2665776) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID2665776
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-6-22(7-2)17-10-8-16(9-11-17)21-20(23)15-12-18(24-4)14(3)19(13-15)25-5/h8-13H,6-7H2,1-5H3,(H,21,23)
InChIKeyIXQSSMNCFFGLFQ-UHFFFAOYSA-N
XLogP4.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
N-(3-amino-4-methoxyphenyl)-4-[ethyl(propyl)amino]benzamide;dihydrochloride
CID 119419016
N-[[4-(diethylamino)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide
CID 3486164

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide (CID 2665776) is N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide is CCN(CC)c1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is IXQSSMNCFFGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-22(7-2)17-10-8-16(9-11-17)21-20(23)15-12-18(24-4)14(3)19(13-15)25-5/h8-13H,6-7H2,1-5H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide?
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 2665776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).