N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide

C19H26N2O3 — CID 54652324

IUPACN-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-12-18(23)20-10-16-19(17(11-22)21-16)15-8-6-14(7-9-15)13-4-2-3-5-13/h4,6-9,16-17,19,21-22H,2-3,5,10-12H2,1H3,(H,20,23)/t16-,17-,19+/m1/s1
InChIKeyOAOOSSZNFXQECR-LMMKCTJWSA-N
MW330.43 g/mol
LogP1.43
Rot. Bonds7

About N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide

N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 54652324) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide
PubChem CID54652324
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-12-18(23)20-10-16-19(17(11-22)21-16)15-8-6-14(7-9-15)13-4-2-3-5-13/h4,6-9,16-17,19,21-22H,2-3,5,10-12H2,1H3,(H,20,23)/t16-,17-,19+/m1/s1
InChIKeyOAOOSSZNFXQECR-LMMKCTJWSA-N
XLogP1.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide (CID 54652324) is N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1.
What is the InChIKey of N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is OAOOSSZNFXQECR-LMMKCTJWSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-12-18(23)20-10-16-19(17(11-22)21-16)15-8-6-14(7-9-15)13-4-2-3-5-13/h4,6-9,16-17,19,21-22H,2-3,5,10-12H2,1H3,(H,20,23)/t16-,17-,19+/m1/s1.
What are the key properties of N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 330.43 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 54652324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).