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

C17H20N2O3 — CID 912405

IUPACN-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1OC
InChIInChI=1S/C17H20N2O3/c1-19(2)13-10-8-12(9-11-13)18-17(20)14-6-5-7-15(21-3)16(14)22-4/h5-11H,1-4H3,(H,18,20)
InChIKeyZXAPPNXXBOJWLT-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.02
Rot. Bonds5

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

N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide (PubChem CID 912405) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide
PubChem CID912405
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1OC
InChIInChI=1S/C17H20N2O3/c1-19(2)13-10-8-12(9-11-13)18-17(20)14-6-5-7-15(21-3)16(14)22-4/h5-11H,1-4H3,(H,18,20)
InChIKeyZXAPPNXXBOJWLT-UHFFFAOYSA-N
XLogP3.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide (CID 912405) is N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1OC.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide?
The InChIKey is ZXAPPNXXBOJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19(2)13-10-8-12(9-11-13)18-17(20)14-6-5-7-15(21-3)16(14)22-4/h5-11H,1-4H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide?
N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 3.02, 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]-2,3-dimethoxybenzamide is sourced from PubChem (CID 912405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).