N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide

C23H29NO3 — CID 126425050

IUPACN-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESCCOCC1(CNC(=O)c2cccc(-c3ccc([C@H](C)O)cc3)c2)CCC1
InChIInChI=1S/C23H29NO3/c1-3-27-16-23(12-5-13-23)15-24-22(26)21-7-4-6-20(14-21)19-10-8-18(9-11-19)17(2)25/h4,6-11,14,17,25H,3,5,12-13,15-16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyVSYWCXPLOBSIFY-KRWDZBQOSA-N
MW367.49 g/mol
LogP4.34
Rot. Bonds8

About N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide

N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide (PubChem CID 126425050) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
PubChem CID126425050
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESCCOCC1(CNC(=O)c2cccc(-c3ccc([C@H](C)O)cc3)c2)CCC1
InChIInChI=1S/C23H29NO3/c1-3-27-16-23(12-5-13-23)15-24-22(26)21-7-4-6-20(14-21)19-10-8-18(9-11-19)17(2)25/h4,6-11,14,17,25H,3,5,12-13,15-16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyVSYWCXPLOBSIFY-KRWDZBQOSA-N
XLogP4.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide (CID 126425050) is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide is CCOCC1(CNC(=O)c2cccc(-c3ccc([C@H](C)O)cc3)c2)CCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The InChIKey is VSYWCXPLOBSIFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-27-16-23(12-5-13-23)15-24-22(26)21-7-4-6-20(14-21)19-10-8-18(9-11-19)17(2)25/h4,6-11,14,17,25H,3,5,12-13,15-16H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide?
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide is sourced from PubChem (CID 126425050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).