2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide

C24H40N2O4 — CID 58311249

IUPAC2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide
SMILESC[C@H]1CCCCCCCCC[C@@H](C(O)C(N)=O)CC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C
InChIInChI=1S/C24H40N2O4/c1-15-11-9-7-5-4-6-8-10-12-16(21(28)22(25)29)13-18(27)20-19-17(24(19,2)3)14-26(20)23(15)30/h15-17,19-21,28H,4-14H2,1-3H3,(H2,25,29)/t15-,16+,17-,19-,20+,21?/m0/s1
InChIKeyAERQUPAGPVPLTM-PGCOKVOCSA-N
MW420.59 g/mol
LogP3.05
Rot. Bonds2

About 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide

2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide (PubChem CID 58311249) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide
PubChem CID58311249
Molecular FormulaC24H40N2O4
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC Name2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide
SMILESC[C@H]1CCCCCCCCC[C@@H](C(O)C(N)=O)CC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C
InChIInChI=1S/C24H40N2O4/c1-15-11-9-7-5-4-6-8-10-12-16(21(28)22(25)29)13-18(27)20-19-17(24(19,2)3)14-26(20)23(15)30/h15-17,19-21,28H,4-14H2,1-3H3,(H2,25,29)/t15-,16+,17-,19-,20+,21?/m0/s1
InChIKeyAERQUPAGPVPLTM-PGCOKVOCSA-N
XLogP3.05
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide?
The IUPAC name of 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide (CID 58311249) is 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide.
What is the SMILES notation for 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide?
The canonical SMILES for 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide is C[C@H]1CCCCCCCCC[C@@H](C(O)C(N)=O)CC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C.
What is the InChIKey of 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide?
The InChIKey is AERQUPAGPVPLTM-PGCOKVOCSA-N. The full InChI is InChI=1S/C24H40N2O4/c1-15-11-9-7-5-4-6-8-10-12-16(21(28)22(25)29)13-18(27)20-19-17(24(19,2)3)14-26(20)23(15)30/h15-17,19-21,28H,4-14H2,1-3H3,(H2,25,29)/t15-,16+,17-,19-,20+,21?/m0/s1.
What are the key properties of 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide?
2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide has a molecular weight of 420.59 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide is sourced from PubChem (CID 58311249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).