N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide

C23H28N2O4 — CID 54652214

IUPACN-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide
SMILESCCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)COC
InChIInChI=1S/C23H28N2O4/c1-3-22(28)25-19(13-24-21(27)15-29-2)23(20(25)14-26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19-20,23,26H,3,13-15H2,1-2H3,(H,24,27)/t19-,20-,23+/m1/s1
InChIKeyNZQVWEYIOJOZRO-VIZSFHNOSA-N
MW396.49 g/mol
LogP2.18
Rot. Bonds8

About N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide

N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 54652214) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide
PubChem CID54652214
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide
SMILESCCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)COC
InChIInChI=1S/C23H28N2O4/c1-3-22(28)25-19(13-24-21(27)15-29-2)23(20(25)14-26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19-20,23,26H,3,13-15H2,1-2H3,(H,24,27)/t19-,20-,23+/m1/s1
InChIKeyNZQVWEYIOJOZRO-VIZSFHNOSA-N
XLogP2.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-2-methoxyacetamide
CID 54651712
N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-2-methoxyacetamide
CID 54651713
N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-2-methoxyacetamide
CID 54651254
N-[[(2R,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-1-propanoylazetidin-2-yl]methyl]acetamide
CID 54652398
N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
CID 54652026
N-[[(2S,3S,4R)-4-(hydroxymethyl)-1-(2-methoxyacetyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]propanamide
CID 54651675
N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651938
N-[[(2S,3R,4R)-1-acetyl-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide
CID 54652036
N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(2-methoxyacetyl)-3-phenylazetidin-2-yl]methyl]pyridine-2-carboxamide
CID 54651351
N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651624
N-[[(2S,3R,4R)-4-(hydroxymethyl)-1-propanoyl-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651964
N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-propanoyl-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651962

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide (CID 54652214) is N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide is CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)COC.
What is the InChIKey of N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is NZQVWEYIOJOZRO-VIZSFHNOSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-22(28)25-19(13-24-21(27)15-29-2)23(20(25)14-26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19-20,23,26H,3,13-15H2,1-2H3,(H,24,27)/t19-,20-,23+/m1/s1.
What are the key properties of N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide?
N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 396.49 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 54652214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).