N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide

C21H24N2O5 — CID 56675502

IUPACN-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(C(CC(=O)c2cccc(NC(C)=O)c2)NC(C)=O)c1
InChIInChI=1S/C21H24N2O5/c1-13(24)22-16-7-5-6-15(10-16)20(26)12-19(23-14(2)25)18-11-17(27-3)8-9-21(18)28-4/h5-11,19H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVSOTTZCLSMTQRK-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.11
Rot. Bonds8

About N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide

N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide (PubChem CID 56675502) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide
PubChem CID56675502
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(C(CC(=O)c2cccc(NC(C)=O)c2)NC(C)=O)c1
InChIInChI=1S/C21H24N2O5/c1-13(24)22-16-7-5-6-15(10-16)20(26)12-19(23-14(2)25)18-11-17(27-3)8-9-21(18)28-4/h5-11,19H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVSOTTZCLSMTQRK-UHFFFAOYSA-N
XLogP3.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide?
The IUPAC name of N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide (CID 56675502) is N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide is COc1ccc(OC)c(C(CC(=O)c2cccc(NC(C)=O)c2)NC(C)=O)c1.
What is the InChIKey of N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide?
The InChIKey is VSOTTZCLSMTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13(24)22-16-7-5-6-15(10-16)20(26)12-19(23-14(2)25)18-11-17(27-3)8-9-21(18)28-4/h5-11,19H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide?
N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide has a molecular weight of 384.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-acetamido-3-(2,5-dimethoxyphenyl)propanoyl]phenyl]acetamide is sourced from PubChem (CID 56675502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).