N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

C19H22N2O4 — CID 693353

IUPACN-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13(22)20-19(21-14(2)23)16-9-10-17(18(11-16)24-3)25-12-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQNTGGWPCCZYDFR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.55
Rot. Bonds7

About N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide

N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 693353) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID693353
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13(22)20-19(21-14(2)23)16-9-10-17(18(11-16)24-3)25-12-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyQNTGGWPCCZYDFR-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide (CID 693353) is N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is COc1cc(C(NC(C)=O)NC(C)=O)ccc1OCc1ccccc1.
What is the InChIKey of N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is QNTGGWPCCZYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(22)20-19(21-14(2)23)16-9-10-17(18(11-16)24-3)25-12-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide?
N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetamido-(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 693353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).