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

C24H28N2O3 — CID 54651624

IUPACN-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-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)C1CCC1
InChIInChI=1S/C24H28N2O3/c1-16(28)25-14-21-23(22(15-27)26(21)24(29)20-8-5-9-20)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-4,6-7,10-13,20-23,27H,5,8-9,14-15H2,1H3,(H,25,28)/t21-,22+,23+/m1/s1
InChIKeyHSESRDNFSLKVBL-VJBWXMMDSA-N
MW392.50 g/mol
LogP2.95
Rot. Bonds6

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

N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide (PubChem CID 54651624) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
PubChem CID54651624
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-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)C1CCC1
InChIInChI=1S/C24H28N2O3/c1-16(28)25-14-21-23(22(15-27)26(21)24(29)20-8-5-9-20)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-4,6-7,10-13,20-23,27H,5,8-9,14-15H2,1H3,(H,25,28)/t21-,22+,23+/m1/s1
InChIKeyHSESRDNFSLKVBL-VJBWXMMDSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.95
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-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide (CID 54651624) is N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-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)C1CCC1.
What is the InChIKey of N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
The InChIKey is HSESRDNFSLKVBL-VJBWXMMDSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16(28)25-14-21-23(22(15-27)26(21)24(29)20-8-5-9-20)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h2-4,6-7,10-13,20-23,27H,5,8-9,14-15H2,1H3,(H,25,28)/t21-,22+,23+/m1/s1.
What are the key properties of N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide?
N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.95, 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-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide is sourced from PubChem (CID 54651624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).