(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide

C20H25N3O4 — CID 143478474

IUPAC(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide
SMILESCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O4/c1-2-21-19(26)17(24)18(25)20(27)23-12-10-22(11-13-23)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17-18,24-25H,2,10-13H2,1H3,(H,21,26)/t17-,18-/m1/s1
InChIKeyAQGPACVLDXWEPF-QZTJIDSGSA-N
MW371.44 g/mol
LogP0.35
Rot. Bonds5

About (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide

(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide (PubChem CID 143478474) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide
PubChem CID143478474
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide
SMILESCCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O4/c1-2-21-19(26)17(24)18(25)20(27)23-12-10-22(11-13-23)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17-18,24-25H,2,10-13H2,1H3,(H,21,26)/t17-,18-/m1/s1
InChIKeyAQGPACVLDXWEPF-QZTJIDSGSA-N
XLogP0.35
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide (CID 143478474) is (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide is CCNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide?
The InChIKey is AQGPACVLDXWEPF-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-21-19(26)17(24)18(25)20(27)23-12-10-22(11-13-23)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17-18,24-25H,2,10-13H2,1H3,(H,21,26)/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide?
(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide has a molecular weight of 371.44 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 143478474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).