N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide

C18H22N2O3 — CID 110763410

IUPACN-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c(OC)c1C
InChIInChI=1S/C18H22N2O3/c1-12-16(22-4)11-10-15(17(12)23-5)18(21)19-13-6-8-14(9-7-13)20(2)3/h6-11H,1-5H3,(H,19,21)
InChIKeyYAAFXPNSFSDMPK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide

N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide (PubChem CID 110763410) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
PubChem CID110763410
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c(OC)c1C
InChIInChI=1S/C18H22N2O3/c1-12-16(22-4)11-10-15(17(12)23-5)18(21)19-13-6-8-14(9-7-13)20(2)3/h6-11H,1-5H3,(H,19,21)
InChIKeyYAAFXPNSFSDMPK-UHFFFAOYSA-N
XLogP3.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.33
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-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
CID 110763319
2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 9219948
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxy-3-methylbenzamide
CID 110763421
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3794891
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide (CID 110763410) is N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide is COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c(OC)c1C.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide?
The InChIKey is YAAFXPNSFSDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-16(22-4)11-10-15(17(12)23-5)18(21)19-13-6-8-14(9-7-13)20(2)3/h6-11H,1-5H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide?
N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide has a molecular weight of 314.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide is sourced from PubChem (CID 110763410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).