N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide

C19H28N4O5 — CID 4984213

IUPACN-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2C(=O)NC3CCN(C(=O)C4CCCC4)C3C(=O)N2C1
InChIInChI=1S/C19H28N4O5/c1-28-10-15(24)20-12-8-14-17(25)21-13-6-7-22(16(13)19(27)23(14)9-12)18(26)11-4-2-3-5-11/h11-14,16H,2-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyMOHMQMYDHYWQEF-UHFFFAOYSA-N
MW392.46 g/mol
LogP-0.99
Rot. Bonds4

About N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide

N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide (PubChem CID 4984213) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
PubChem CID4984213
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC NameN-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2C(=O)NC3CCN(C(=O)C4CCCC4)C3C(=O)N2C1
InChIInChI=1S/C19H28N4O5/c1-28-10-15(24)20-12-8-14-17(25)21-13-6-7-22(16(13)19(27)23(14)9-12)18(26)11-4-2-3-5-11/h11-14,16H,2-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyMOHMQMYDHYWQEF-UHFFFAOYSA-N
XLogP-0.99
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide (CID 4984213) is N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide is COCC(=O)NC1CC2C(=O)NC3CCN(C(=O)C4CCCC4)C3C(=O)N2C1.
What is the InChIKey of N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
The InChIKey is MOHMQMYDHYWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-28-10-15(24)20-12-8-14-17(25)21-13-6-7-22(16(13)19(27)23(14)9-12)18(26)11-4-2-3-5-11/h11-14,16H,2-10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide has a molecular weight of 392.46 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide is sourced from PubChem (CID 4984213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).