N-(4-formylphenyl)-3,4-dimethoxybenzamide

C16H15NO4 — CID 106912264

IUPACN-(4-formylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C=O)cc2)cc1OC
InChIInChI=1S/C16H15NO4/c1-20-14-8-5-12(9-15(14)21-2)16(19)17-13-6-3-11(10-18)4-7-13/h3-10H,1-2H3,(H,17,19)
InChIKeyJJFBBTPEVYPSHU-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.77
Rot. Bonds5

About N-(4-formylphenyl)-3,4-dimethoxybenzamide

N-(4-formylphenyl)-3,4-dimethoxybenzamide (PubChem CID 106912264) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(4-formylphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-3,4-dimethoxybenzamide
PubChem CID106912264
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(4-formylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C=O)cc2)cc1OC
InChIInChI=1S/C16H15NO4/c1-20-14-8-5-12(9-15(14)21-2)16(19)17-13-6-3-11(10-18)4-7-13/h3-10H,1-2H3,(H,17,19)
InChIKeyJJFBBTPEVYPSHU-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059556
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-formylphenyl)-3,4-dimethoxybenzamide (CID 106912264) is N-(4-formylphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-formylphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-formylphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C=O)cc2)cc1OC.
What is the InChIKey of N-(4-formylphenyl)-3,4-dimethoxybenzamide?
The InChIKey is JJFBBTPEVYPSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-14-8-5-12(9-15(14)21-2)16(19)17-13-6-3-11(10-18)4-7-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-(4-formylphenyl)-3,4-dimethoxybenzamide?
N-(4-formylphenyl)-3,4-dimethoxybenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 106912264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).