3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide

C23H32N2O4 — CID 16746431

IUPAC3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(c1ccc(N(C)C)cc1)c1c(O)cc(OC)cc1OC
InChIInChI=1S/C23H32N2O4/c1-7-25(8-2)22(27)15-19(16-9-11-17(12-10-16)24(3)4)23-20(26)13-18(28-5)14-21(23)29-6/h9-14,19,26H,7-8,15H2,1-6H3
InChIKeyNDGGXDTVNFALMI-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.87
Rot. Bonds9

About 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide

3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide (PubChem CID 16746431) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide
PubChem CID16746431
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(c1ccc(N(C)C)cc1)c1c(O)cc(OC)cc1OC
InChIInChI=1S/C23H32N2O4/c1-7-25(8-2)22(27)15-19(16-9-11-17(12-10-16)24(3)4)23-20(26)13-18(28-5)14-21(23)29-6/h9-14,19,26H,7-8,15H2,1-6H3
InChIKeyNDGGXDTVNFALMI-UHFFFAOYSA-N
XLogP3.87
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide (CID 16746431) is 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide is CCN(CC)C(=O)CC(c1ccc(N(C)C)cc1)c1c(O)cc(OC)cc1OC.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide?
The InChIKey is NDGGXDTVNFALMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-7-25(8-2)22(27)15-19(16-9-11-17(12-10-16)24(3)4)23-20(26)13-18(28-5)14-21(23)29-6/h9-14,19,26H,7-8,15H2,1-6H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide?
3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide has a molecular weight of 400.52 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide is sourced from PubChem (CID 16746431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).