N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide

C23H26N2O3 — CID 54651938

IUPACN-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1
InChIInChI=1S/C23H26N2O3/c1-15(27)24-13-20-22(21(14-26)25(20)23(28)19-11-12-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,19-22,26H,11-14H2,1H3,(H,24,27)/t20-,21+,22+/m1/s1
InChIKeyNIPDWBSESJFELC-FSSWDIPSSA-N
MW378.47 g/mol
LogP2.56
Rot. Bonds6

About N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide

N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide (PubChem CID 54651938) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
PubChem CID54651938
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1
InChIInChI=1S/C23H26N2O3/c1-15(27)24-13-20-22(21(14-26)25(20)23(28)19-11-12-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,19-22,26H,11-14H2,1H3,(H,24,27)/t20-,21+,22+/m1/s1
InChIKeyNIPDWBSESJFELC-FSSWDIPSSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide (CID 54651938) is N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(=O)C1CC1.
What is the InChIKey of N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
The InChIKey is NIPDWBSESJFELC-FSSWDIPSSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(27)24-13-20-22(21(14-26)25(20)23(28)19-11-12-19)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,19-22,26H,11-14H2,1H3,(H,24,27)/t20-,21+,22+/m1/s1.
What are the key properties of N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide is sourced from PubChem (CID 54651938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).