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

C17H24N4O5 — CID 3854766

IUPACN-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2C(=O)NC3CCN(C(=O)C4CC4)C3C(=O)N2C1
InChIInChI=1S/C17H24N4O5/c1-26-8-13(22)18-10-6-12-15(23)19-11-4-5-20(16(24)9-2-3-9)14(11)17(25)21(12)7-10/h9-12,14H,2-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyOVLVWOOTJXYMJT-UHFFFAOYSA-N
MW364.40 g/mol
LogP-1.77
Rot. Bonds4

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

N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide (PubChem CID 3854766) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
PubChem CID3854766
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2C(=O)NC3CCN(C(=O)C4CC4)C3C(=O)N2C1
InChIInChI=1S/C17H24N4O5/c1-26-8-13(22)18-10-6-12-15(23)19-11-4-5-20(16(24)9-2-3-9)14(11)17(25)21(12)7-10/h9-12,14H,2-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyOVLVWOOTJXYMJT-UHFFFAOYSA-N
XLogP-1.77
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5aS,8aR)-6-(cyclopropylmethyl)-2-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-methyl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45360801
N-[(3S,7S,10R,12S)-4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 11882126
(2S,5aS,8aR)-6-(2,2-dimethylpropyl)-2-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-methyl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45361183
N-[4-(2-methoxyacetyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclobutanecarboxamide
CID 3735491
N-[4-(2-methoxyacetyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclohexanecarboxamide
CID 3740580
1-acetyl-N-[4-(2-methoxyacetyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]piperidine-4-carboxamide
CID 3743517
N-[4-(cyclobutanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 3782867
N-[4-(2-methoxyacetyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopentanecarboxamide
CID 3810932
N-[4-(cyclohexanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 3821788
N-[4-(1-acetylpiperidine-4-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 4236868
N-[4-(cyclopentanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 4984213
N-[(3S,7S,10R,12S)-4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 11865910

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide (CID 3854766) is N-[4-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)-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)C4CC4)C3C(=O)N2C1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
The InChIKey is OVLVWOOTJXYMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-26-8-13(22)18-10-6-12-15(23)19-11-4-5-20(16(24)9-2-3-9)14(11)17(25)21(12)7-10/h9-12,14H,2-8H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide?
N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide has a molecular weight of 364.40 g/mol, XLogP of -1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide is sourced from PubChem (CID 3854766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).