N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide

C20H29N3O4 — CID 54652026

IUPACN-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1
InChIInChI=1S/C20H29N3O4/c1-2-19(26)23-16(12-21-18(25)13-22-8-10-27-11-9-22)20(17(23)14-24)15-6-4-3-5-7-15/h3-7,16-17,20,24H,2,8-14H2,1H3,(H,21,25)/t16-,17-,20+/m0/s1
InChIKeyZFUOFKKSDQWECY-ABSDTBQOSA-N
MW375.47 g/mol
LogP0.20
Rot. Bonds7

About N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide

N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 54652026) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID54652026
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1
InChIInChI=1S/C20H29N3O4/c1-2-19(26)23-16(12-21-18(25)13-22-8-10-27-11-9-22)20(17(23)14-24)15-6-4-3-5-7-15/h3-7,16-17,20,24H,2,8-14H2,1H3,(H,21,25)/t16-,17-,20+/m0/s1
InChIKeyZFUOFKKSDQWECY-ABSDTBQOSA-N
XLogP0.20
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)-1-propanoylazetidin-2-yl]methyl]-2-methoxyacetamide
CID 54652214
N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
CID 54651339
N-[[(2R,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-1-propanoylazetidin-2-yl]methyl]acetamide
CID 54652398
N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-2-methoxyacetamide
CID 54651254
N-[[(2S,3R,4R)-4-(hydroxymethyl)-1-propanoyl-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651964
(2R,3R,4R)-2-(acetamidomethyl)-4-(hydroxymethyl)-3-phenyl-N-propylazetidine-1-carboxamide
CID 54651898
N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651938
(1R,2aS,8bS)-1-(hydroxymethyl)-2-(2-morpholin-4-ylacetyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
CID 54652627
N-[[(2S,3S,4R)-4-(hydroxymethyl)-1-(2-methoxyacetyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]propanamide
CID 54651675
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
1-[(8R,9R,10R)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-morpholin-4-ylethanone
CID 54667924

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide (CID 54652026) is N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide is CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1.
What is the InChIKey of N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is ZFUOFKKSDQWECY-ABSDTBQOSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-2-19(26)23-16(12-21-18(25)13-22-8-10-27-11-9-22)20(17(23)14-24)15-6-4-3-5-7-15/h3-7,16-17,20,24H,2,8-14H2,1H3,(H,21,25)/t16-,17-,20+/m0/s1.
What are the key properties of N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 375.47 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-propanoylazetidin-2-yl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 54652026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).