4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one

C19H21NO4 — CID 123381440

IUPAC4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1.CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O2.C9H9NO2/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-10-9(12)8-4-2-7(6-11)3-5-8/h4-7H,3H2,1-2H3;2-6H,1H3,(H,10,12)
InChIKeyRVURQLLUINTAIS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.15
Rot. Bonds5

About 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one

4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one (PubChem CID 123381440) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one
PubChem CID123381440
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OC)cc1.CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O2.C9H9NO2/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-10-9(12)8-4-2-7(6-11)3-5-8/h4-7H,3H2,1-2H3;2-6H,1H3,(H,10,12)
InChIKeyRVURQLLUINTAIS-UHFFFAOYSA-N
XLogP3.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.15
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

acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one
CID 157370340
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]propan-1-one
CID 139662711
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
CID 162014823
4-[(E)-3-[1-(4-methoxyphenyl)propylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002714
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
N-formyl-4-methoxybenzamide
CID 10856056
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130305051
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one (CID 123381440) is 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one is CCC(=O)c1ccc(OC)cc1.CNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one?
The InChIKey is RVURQLLUINTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H9NO2/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-10-9(12)8-4-2-7(6-11)3-5-8/h4-7H,3H2,1-2H3;2-6H,1H3,(H,10,12).
What are the key properties of 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one?
4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one has a molecular weight of 327.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 123381440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).