2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide

C21H25NO3 — CID 68584463

IUPAC2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3cc(C)ccc3OC)C2(C)C)cc1
InChIInChI=1S/C21H25NO3/c1-13-6-11-17(25-5)16(12-13)20(23)22-19-18(21(19,2)3)14-7-9-15(24-4)10-8-14/h6-12,18-19H,1-5H3,(H,22,23)/t18-,19-/m1/s1
InChIKeyVWPAHKVSINMESQ-RTBURBONSA-N
MW339.44 g/mol
LogP3.93
Rot. Bonds5

About 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide

2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide (PubChem CID 68584463) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
PubChem CID68584463
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3cc(C)ccc3OC)C2(C)C)cc1
InChIInChI=1S/C21H25NO3/c1-13-6-11-17(25-5)16(12-13)20(23)22-19-18(21(19,2)3)14-7-9-15(24-4)10-8-14/h6-12,18-19H,1-5H3,(H,22,23)/t18-,19-/m1/s1
InChIKeyVWPAHKVSINMESQ-RTBURBONSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide?
The IUPAC name of 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide (CID 68584463) is 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide?
The canonical SMILES for 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide is COc1ccc([C@@H]2[C@@H](NC(=O)c3cc(C)ccc3OC)C2(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide?
The InChIKey is VWPAHKVSINMESQ-RTBURBONSA-N. The full InChI is InChI=1S/C21H25NO3/c1-13-6-11-17(25-5)16(12-13)20(23)22-19-18(21(19,2)3)14-7-9-15(24-4)10-8-14/h6-12,18-19H,1-5H3,(H,22,23)/t18-,19-/m1/s1.
What are the key properties of 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide?
2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide is sourced from PubChem (CID 68584463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).