[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate

C17H33N3O6 — CID 126540668

IUPAC[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
SMILESCCCNC(=O)OCC(C)(COC(=O)NCCC)COC(=O)NCCC
InChIInChI=1S/C17H33N3O6/c1-5-8-18-14(21)24-11-17(4,12-25-15(22)19-9-6-2)13-26-16(23)20-10-7-3/h5-13H2,1-4H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyNAMDNWYSGGUADB-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.40
Rot. Bonds12

About [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate

[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate (PubChem CID 126540668) has the molecular formula C17H33N3O6 and a molecular weight of 375.47 g/mol. Its IUPAC name is [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate.

Molecular Properties

Compound Name[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
PubChem CID126540668
Molecular FormulaC17H33N3O6
Molecular Weight375.47 g/mol
Exact Mass375.24
IUPAC Name[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
SMILESCCCNC(=O)OCC(C)(COC(=O)NCCC)COC(=O)NCCC
InChIInChI=1S/C17H33N3O6/c1-5-8-18-14(21)24-11-17(4,12-25-15(22)19-9-6-2)13-26-16(23)20-10-7-3/h5-13H2,1-4H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyNAMDNWYSGGUADB-UHFFFAOYSA-N
XLogP2.40
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
CID 54453185
[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate
CID 21128470
ethyl N-propylcarbamate
CID 12199
3,3-dimethylbutyl N-propylcarbamate
CID 153156945
(1,1,1-trichloro-2-methylpropan-2-yl) N-propylcarbamate
CID 159172104
(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl] N-ethylcarbamate
CID 87800600
2-hydroxyethyl N-propylcarbamate
CID 15560805
[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl] N-butylcarbamate
CID 21128467
octadecyl N-propylcarbamate
CID 175015942
silyl N-propylcarbamate
CID 174599243
3-(propylamino)propyl N-propylcarbamate
CID 166733433

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate?
The IUPAC name of [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate (CID 126540668) is [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate.
What is the SMILES notation for [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate?
The canonical SMILES for [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate is CCCNC(=O)OCC(C)(COC(=O)NCCC)COC(=O)NCCC.
What is the InChIKey of [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate?
The InChIKey is NAMDNWYSGGUADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O6/c1-5-8-18-14(21)24-11-17(4,12-25-15(22)19-9-6-2)13-26-16(23)20-10-7-3/h5-13H2,1-4H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate?
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate has a molecular weight of 375.47 g/mol, XLogP of 2.40, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate is sourced from PubChem (CID 126540668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).