4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide

C23H29NO2 — CID 67553793

IUPAC4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide
SMILESCOC(Cc1ccccc1C(C)(CCC(N)=O)C1CC1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(19-12-13-19,15-14-22(24)25)20-11-7-6-10-18(20)16-21(26-2)17-8-4-3-5-9-17/h3-11,19,21H,12-16H2,1-2H3,(H2,24,25)
InChIKeyMYVMLJGVAITUJL-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.55
Rot. Bonds9

About 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide

4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide (PubChem CID 67553793) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide
PubChem CID67553793
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide
SMILESCOC(Cc1ccccc1C(C)(CCC(N)=O)C1CC1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(19-12-13-19,15-14-22(24)25)20-11-7-6-10-18(20)16-21(26-2)17-8-4-3-5-9-17/h3-11,19,21H,12-16H2,1-2H3,(H2,24,25)
InChIKeyMYVMLJGVAITUJL-UHFFFAOYSA-N
XLogP4.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide?
The IUPAC name of 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide (CID 67553793) is 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide.
What is the SMILES notation for 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide?
The canonical SMILES for 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide is COC(Cc1ccccc1C(C)(CCC(N)=O)C1CC1)c1ccccc1.
What is the InChIKey of 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide?
The InChIKey is MYVMLJGVAITUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-23(19-12-13-19,15-14-22(24)25)20-11-7-6-10-18(20)16-21(26-2)17-8-4-3-5-9-17/h3-11,19,21H,12-16H2,1-2H3,(H2,24,25).
What are the key properties of 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide?
4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide has a molecular weight of 351.49 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-[2-(2-methoxy-2-phenylethyl)phenyl]pentanamide is sourced from PubChem (CID 67553793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).