N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide

C22H32N2O3 — CID 54652357

IUPACN-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
SMILESCOCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C
InChIInChI=1S/C22H32N2O3/c1-15(2)24(21(26)14-27-3)12-19-22(20(13-25)23-19)18-10-8-17(9-11-18)16-6-4-5-7-16/h6,8-11,15,19-20,22-23,25H,4-5,7,12-14H2,1-3H3/t19-,20-,22-/m0/s1
InChIKeyNNDLDBAPAQCFGH-ONTIZHBOSA-N
MW372.51 g/mol
LogP2.55
Rot. Bonds8

About N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide

N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide (PubChem CID 54652357) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
PubChem CID54652357
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
SMILESCOCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C
InChIInChI=1S/C22H32N2O3/c1-15(2)24(21(26)14-27-3)12-19-22(20(13-25)23-19)18-10-8-17(9-11-18)16-6-4-5-7-16/h6,8-11,15,19-20,22-23,25H,4-5,7,12-14H2,1-3H3/t19-,20-,22-/m0/s1
InChIKeyNNDLDBAPAQCFGH-ONTIZHBOSA-N
XLogP2.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R,3R,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-3-propan-2-ylurea
CID 54651241
N-[[(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
CID 54651290
N-ethyl-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
CID 54651336
N-[[(2S,3R,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 54651943
[(2S,3R,4S)-1-(cyclohexylmethyl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
CID 60182585
[(2S,3R,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-[(cyclopentylamino)methyl]-1-(cyclopropylmethyl)azetidin-2-yl]methanol
CID 60182795
(2R,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
CID 54650117
(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
CID 54650119
(2R,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxyacetyl)azetidine-2-carbonitrile
CID 54650120
(2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
CID 54650998
(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
CID 54651001
N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylcyclobutanecarboxamide
CID 54651200

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide (CID 54652357) is N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide is COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C.
What is the InChIKey of N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
The InChIKey is NNDLDBAPAQCFGH-ONTIZHBOSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-15(2)24(21(26)14-27-3)12-19-22(20(13-25)23-19)18-10-8-17(9-11-18)16-6-4-5-7-16/h6,8-11,15,19-20,22-23,25H,4-5,7,12-14H2,1-3H3/t19-,20-,22-/m0/s1.
What are the key properties of N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide?
N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide has a molecular weight of 372.51 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 54652357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).