[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate

C15H30N2O5 — CID 59499826

IUPAC[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
SMILESCCCCNC(=O)OCC(COCC)OC(=O)NCCCC
InChIInChI=1S/C15H30N2O5/c1-4-7-9-16-14(18)21-12-13(11-20-6-3)22-15(19)17-10-8-5-2/h13H,4-12H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNRYHGIMVGUGLBU-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.44
Rot. Bonds12

About [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate

[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate (PubChem CID 59499826) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate.

Molecular Properties

Compound Name[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
PubChem CID59499826
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Name[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
SMILESCCCCNC(=O)OCC(COCC)OC(=O)NCCCC
InChIInChI=1S/C15H30N2O5/c1-4-7-9-16-14(18)21-12-13(11-20-6-3)22-15(19)17-10-8-5-2/h13H,4-12H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNRYHGIMVGUGLBU-UHFFFAOYSA-N
XLogP2.44
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59021341
2-iodopropyl N-butylcarbamate
CID 175153431
[1-methoxy-3-(octylcarbamoyloxy)propan-2-yl] octanoate
CID 71455315
[2-[2-aminoethyl-[1,2-bis(butylcarbamoyloxy)ethyl]amino]-2-(butylcarbamoyloxy)ethyl] N-butylcarbamate;dihydrochloride
CID 21156309
aminomethyl N-butylcarbamate
CID 139491046
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
[3-[4-(3-acetyloxy-2-hydroxypropoxy)butoxy]-2-(butylcarbamoyloxy)propyl] prop-2-enoate
CID 123668303
2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate
CID 59185255
2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
CID 654802
[2-[2-(dimethylamino)ethylcarbamoyloxy]-3-hexadecanoyloxypropyl] hexadecanoate
CID 19361179
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545

Frequently Asked Questions

What is the IUPAC name of [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate?
The IUPAC name of [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate (CID 59499826) is [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate.
What is the SMILES notation for [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate?
The canonical SMILES for [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate is CCCCNC(=O)OCC(COCC)OC(=O)NCCCC.
What is the InChIKey of [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate?
The InChIKey is NRYHGIMVGUGLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-4-7-9-16-14(18)21-12-13(11-20-6-3)22-15(19)17-10-8-5-2/h13H,4-12H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate?
[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate has a molecular weight of 318.41 g/mol, XLogP of 2.44, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate is sourced from PubChem (CID 59499826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).