N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide

C23H32N2O3 — CID 54652270

IUPACN-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide
SMILESC/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(C)=O)N(C(=O)C3CCC3)[C@H]2CO)cc1
InChIInChI=1S/C23H32N2O3/c1-4-7-17-10-12-18(13-11-17)22-20(14-24(5-2)16(3)27)25(21(22)15-26)23(28)19-8-6-9-19/h4,7,10-13,19-22,26H,5-6,8-9,14-15H2,1-3H3/b7-4+/t20-,21+,22-/m1/s1
InChIKeyGEMGWXXASIZGEF-ISUJQMBSSA-N
MW384.52 g/mol
LogP3.04
Rot. Bonds7

About N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide

N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide (PubChem CID 54652270) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide
PubChem CID54652270
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide
SMILESC/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(C)=O)N(C(=O)C3CCC3)[C@H]2CO)cc1
InChIInChI=1S/C23H32N2O3/c1-4-7-17-10-12-18(13-11-17)22-20(14-24(5-2)16(3)27)25(21(22)15-26)23(28)19-8-6-9-19/h4,7,10-13,19-22,26H,5-6,8-9,14-15H2,1-3H3/b7-4+/t20-,21+,22-/m1/s1
InChIKeyGEMGWXXASIZGEF-ISUJQMBSSA-N
XLogP3.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide?
The IUPAC name of N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide (CID 54652270) is N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide?
The canonical SMILES for N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide is C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(C)=O)N(C(=O)C3CCC3)[C@H]2CO)cc1.
What is the InChIKey of N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide?
The InChIKey is GEMGWXXASIZGEF-ISUJQMBSSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-4-7-17-10-12-18(13-11-17)22-20(14-24(5-2)16(3)27)25(21(22)15-26)23(28)19-8-6-9-19/h4,7,10-13,19-22,26H,5-6,8-9,14-15H2,1-3H3/b7-4+/t20-,21+,22-/m1/s1.
What are the key properties of N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide?
N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide has a molecular weight of 384.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide is sourced from PubChem (CID 54652270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).