2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate

C13H24N4O6 — CID 20736983

IUPAC2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)CCCC(=O)NCCOC(=O)NC
InChIInChI=1S/C13H24N4O6/c1-14-12(20)22-8-6-16-10(18)4-3-5-11(19)17-7-9-23-13(21)15-2/h3-9H2,1-2H3,(H,14,20)(H,15,21)(H,16,18)(H,17,19)
InChIKeyAPKUOLWMKMSIQW-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.90
Rot. Bonds10

About 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate

2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate (PubChem CID 20736983) has the molecular formula C13H24N4O6 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate
PubChem CID20736983
Molecular FormulaC13H24N4O6
Molecular Weight332.36 g/mol
Exact Mass332.17
IUPAC Name2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)CCCC(=O)NCCOC(=O)NC
InChIInChI=1S/C13H24N4O6/c1-14-12(20)22-8-6-16-10(18)4-3-5-11(19)17-7-9-23-13(21)15-2/h3-9H2,1-2H3,(H,14,20)(H,15,21)(H,16,18)(H,17,19)
InChIKeyAPKUOLWMKMSIQW-UHFFFAOYSA-N
XLogP-0.90
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
butyl N-[2-(pentanoylamino)ethyl]carbamate
CID 108573829
[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate
CID 162133133
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
ethyl 2-[2-(hexadecanoylamino)ethoxycarbonylamino]acetate
CID 22560977
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
2-(dodecanoylamino)ethyl 2-aminoacetate
CID 166463267
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
CID 167464495
20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
CID 154937129

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate (CID 20736983) is 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate is CNC(=O)OCCNC(=O)CCCC(=O)NCCOC(=O)NC.
What is the InChIKey of 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate?
The InChIKey is APKUOLWMKMSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O6/c1-14-12(20)22-8-6-16-10(18)4-3-5-11(19)17-7-9-23-13(21)15-2/h3-9H2,1-2H3,(H,14,20)(H,15,21)(H,16,18)(H,17,19).
What are the key properties of 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate?
2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate has a molecular weight of 332.36 g/mol, XLogP of -0.90, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(methylcarbamoyloxy)ethylamino]-5-oxopentanoyl]amino]ethyl N-methylcarbamate is sourced from PubChem (CID 20736983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).