3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide

C23H24N2O3 — CID 112982231

IUPAC3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-16(17-7-5-4-6-8-17)24-19-10-12-20(13-11-19)25-23(26)18-9-14-21(27-2)22(15-18)28-3/h4-16,24H,1-3H3,(H,25,26)
InChIKeyAKXHURYKXMXAJJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.13
Rot. Bonds7

About 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide

3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide (PubChem CID 112982231) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
PubChem CID112982231
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-16(17-7-5-4-6-8-17)24-19-10-12-20(13-11-19)25-23(26)18-9-14-21(27-2)22(15-18)28-3/h4-16,24H,1-3H3,(H,25,26)
InChIKeyAKXHURYKXMXAJJ-UHFFFAOYSA-N
XLogP5.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[4-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 21169871
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide (CID 112982231) is 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
The InChIKey is AKXHURYKXMXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(17-7-5-4-6-8-17)24-19-10-12-20(13-11-19)25-23(26)18-9-14-21(27-2)22(15-18)28-3/h4-16,24H,1-3H3,(H,25,26).
What are the key properties of 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide?
3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide is sourced from PubChem (CID 112982231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).