benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine

C18H22N2O3 — CID 87691755

IUPACbenzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
SMILESCC(=O)Nc1ccc(C=O)cc1.CNC.O=Cc1ccccc1
InChIInChI=1S/C9H9NO2.C7H6O.C2H7N/c1-7(12)10-9-4-2-8(6-11)3-5-9;8-6-7-4-2-1-3-5-7;1-3-2/h2-6H,1H3,(H,10,12);1-6H;3H,1-2H3
InChIKeyUKFVQDXAGYQPJN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds3

About benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine

benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine (PubChem CID 87691755) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine.

Molecular Properties

Compound Namebenzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
PubChem CID87691755
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Namebenzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
SMILESCC(=O)Nc1ccc(C=O)cc1.CNC.O=Cc1ccccc1
InChIInChI=1S/C9H9NO2.C7H6O.C2H7N/c1-7(12)10-9-4-2-8(6-11)3-5-9;8-6-7-4-2-1-3-5-7;1-3-2/h2-6H,1H3,(H,10,12);1-6H;3H,1-2H3
InChIKeyUKFVQDXAGYQPJN-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
acetyl chloride;benzaldehyde
CID 88812659
cobalt;N-phenylacetamide
CID 158689050
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
N-(4-phenylphenyl)acetamide
CID 19998
benzaldehyde;carbonic acid;hydrate
CID 173060917
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide
CID 73053859
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
acetyl bromide;N-phenylacetamide
CID 175285562
N-methylethanamine;N-phenylacetamide
CID 156841550

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine?
The IUPAC name of benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine (CID 87691755) is benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine.
What is the SMILES notation for benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine?
The canonical SMILES for benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine is CC(=O)Nc1ccc(C=O)cc1.CNC.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine?
The InChIKey is UKFVQDXAGYQPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C7H6O.C2H7N/c1-7(12)10-9-4-2-8(6-11)3-5-9;8-6-7-4-2-1-3-5-7;1-3-2/h2-6H,1H3,(H,10,12);1-6H;3H,1-2H3.
What are the key properties of benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine?
benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine has a molecular weight of 314.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine is sourced from PubChem (CID 87691755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).