4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide

C23H38N2O2 — CID 66824346

IUPAC4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide
SMILESCCOc1ccc(C2(C(CC(C)C)NCCC(CC)C(N)=O)CCC2)cc1
InChIInChI=1S/C23H38N2O2/c1-5-18(22(24)26)12-15-25-21(16-17(3)4)23(13-7-14-23)19-8-10-20(11-9-19)27-6-2/h8-11,17-18,21,25H,5-7,12-16H2,1-4H3,(H2,24,26)
InChIKeyRRSIWRGSIWQQEV-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.41
Rot. Bonds12

About 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide

4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide (PubChem CID 66824346) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide.

Molecular Properties

Compound Name4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide
PubChem CID66824346
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide
SMILESCCOc1ccc(C2(C(CC(C)C)NCCC(CC)C(N)=O)CCC2)cc1
InChIInChI=1S/C23H38N2O2/c1-5-18(22(24)26)12-15-25-21(16-17(3)4)23(13-7-14-23)19-8-10-20(11-9-19)27-6-2/h8-11,17-18,21,25H,5-7,12-16H2,1-4H3,(H2,24,26)
InChIKeyRRSIWRGSIWQQEV-UHFFFAOYSA-N
XLogP4.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide?
The IUPAC name of 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide (CID 66824346) is 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide.
What is the SMILES notation for 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide?
The canonical SMILES for 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide is CCOc1ccc(C2(C(CC(C)C)NCCC(CC)C(N)=O)CCC2)cc1.
What is the InChIKey of 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide?
The InChIKey is RRSIWRGSIWQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-5-18(22(24)26)12-15-25-21(16-17(3)4)23(13-7-14-23)19-8-10-20(11-9-19)27-6-2/h8-11,17-18,21,25H,5-7,12-16H2,1-4H3,(H2,24,26).
What are the key properties of 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide?
4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide has a molecular weight of 374.57 g/mol, XLogP of 4.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide is sourced from PubChem (CID 66824346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).