N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide

C16H25N5O5 — CID 142041874

IUPACN-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide
SMILESC=C1CNC(=O)C(C(=O)N(C)OC)NC(=O)CNC(=O)C2CCCCN12
InChIInChI=1S/C16H25N5O5/c1-10-8-17-15(24)13(16(25)20(2)26-3)19-12(22)9-18-14(23)11-6-4-5-7-21(10)11/h11,13H,1,4-9H2,2-3H3,(H,17,24)(H,18,23)(H,19,22)
InChIKeyJTCZPEANZZNWKN-UHFFFAOYSA-N
MW367.41 g/mol
LogP-1.89
Rot. Bonds2

About N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide

N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide (PubChem CID 142041874) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide
PubChem CID142041874
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC NameN-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide
SMILESC=C1CNC(=O)C(C(=O)N(C)OC)NC(=O)CNC(=O)C2CCCCN12
InChIInChI=1S/C16H25N5O5/c1-10-8-17-15(24)13(16(25)20(2)26-3)19-12(22)9-18-14(23)11-6-4-5-7-21(10)11/h11,13H,1,4-9H2,2-3H3,(H,17,24)(H,18,23)(H,19,22)
InChIKeyJTCZPEANZZNWKN-UHFFFAOYSA-N
XLogP-1.89
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide
CID 59900096
1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]-4-methyl-5-methylidenepiperazin-2-one
CID 68205326
butane;N-methoxy-N-methylacetamide;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione;octan-3-one
CID 142041854
ethane;(9S)-9-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione;propane
CID 142041945
butane;N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide;octan-3-one
CID 142041979
Butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041985
2-Methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041830
7-Hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041929
(9S)-9-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041946
7-Methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041977

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide (CID 142041874) is N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide is C=C1CNC(=O)C(C(=O)N(C)OC)NC(=O)CNC(=O)C2CCCCN12.
What is the InChIKey of N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide?
The InChIKey is JTCZPEANZZNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O5/c1-10-8-17-15(24)13(16(25)20(2)26-3)19-12(22)9-18-14(23)11-6-4-5-7-21(10)11/h11,13H,1,4-9H2,2-3H3,(H,17,24)(H,18,23)(H,19,22).
What are the key properties of N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide?
N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide has a molecular weight of 367.41 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide is sourced from PubChem (CID 142041874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).