N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide

C23H24N2O3 — CID 112982300

IUPACN-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-25(16-17-7-5-4-6-8-17)20-12-10-19(11-13-20)24-23(26)18-9-14-21(27-2)22(15-18)28-3/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyDUDJKWQADCHESS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.59
Rot. Bonds7

About N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide

N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide (PubChem CID 112982300) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
PubChem CID112982300
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-25(16-17-7-5-4-6-8-17)20-12-10-19(11-13-20)24-23(26)18-9-14-21(27-2)22(15-18)28-3/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyDUDJKWQADCHESS-UHFFFAOYSA-N
XLogP4.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
4-(4-acetyl-2-methoxyphenoxy)-N-[4-[benzyl(methyl)amino]phenyl]butanamide
CID 60536977
N-[4-[benzyl(methyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982312
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide (CID 112982300) is N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is DUDJKWQADCHESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-25(16-17-7-5-4-6-8-17)20-12-10-19(11-13-20)24-23(26)18-9-14-21(27-2)22(15-18)28-3/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide?
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 112982300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).