N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide

C23H29N3O3 — CID 54651339

IUPACN-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3/c27-16-21-23(19-8-6-18(7-9-19)17-4-2-1-3-5-17)20(25-21)14-24-22(28)15-26-10-12-29-13-11-26/h1-9,20-21,23,25,27H,10-16H2,(H,24,28)/t20-,21-,23-/m1/s1
InChIKeyWBIVFKFYLCPPOR-MQSCRBSSSA-N
MW395.50 g/mol
LogP1.22
Rot. Bonds7

About N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide

N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 54651339) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID54651339
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3/c27-16-21-23(19-8-6-18(7-9-19)17-4-2-1-3-5-17)20(25-21)14-24-22(28)15-26-10-12-29-13-11-26/h1-9,20-21,23,25,27H,10-16H2,(H,24,28)/t20-,21-,23-/m1/s1
InChIKeyWBIVFKFYLCPPOR-MQSCRBSSSA-N
XLogP1.22
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
CID 54652026
1-[(8R,9R,10R)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-morpholin-4-ylethanone
CID 54667924
1-[(8S,9R,10S)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-morpholin-4-ylethanone
CID 54667926
1-[(8S,9S,10S)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-morpholin-4-ylethanone
CID 54667927
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-morpholin-4-ylacetamide
CID 110011720
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 141430312
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide (CID 54651339) is N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is WBIVFKFYLCPPOR-MQSCRBSSSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-16-21-23(19-8-6-18(7-9-19)17-4-2-1-3-5-17)20(25-21)14-24-22(28)15-26-10-12-29-13-11-26/h1-9,20-21,23,25,27H,10-16H2,(H,24,28)/t20-,21-,23-/m1/s1.
What are the key properties of N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 395.50 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 54651339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).