2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate

C13H26N2O4 — CID 654802

IUPAC2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
SMILESCCCCNC(=O)OCC(CC)NC(=O)OC(C)C
InChIInChI=1S/C13H26N2O4/c1-5-7-8-14-12(16)18-9-11(6-2)15-13(17)19-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZVMFHQAWQKAMSD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.43
Rot. Bonds8

About 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate

2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate (PubChem CID 654802) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
PubChem CID654802
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
SMILESCCCCNC(=O)OCC(CC)NC(=O)OC(C)C
InChIInChI=1S/C13H26N2O4/c1-5-7-8-14-12(16)18-9-11(6-2)15-13(17)19-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZVMFHQAWQKAMSD-UHFFFAOYSA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodopropyl N-butylcarbamate
CID 175153431
2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
CID 3115351
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
CID 59499826
(2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate
CID 144862258
aminomethyl N-butylcarbamate
CID 139491046
2-methylbutyl N-propylcarbamate
CID 127538020
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
[2-[2-aminoethyl-[1,2-bis(butylcarbamoyloxy)ethyl]amino]-2-(butylcarbamoyloxy)ethyl] N-butylcarbamate;dihydrochloride
CID 21156309
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate?
The IUPAC name of 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate (CID 654802) is 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate.
What is the SMILES notation for 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate?
The canonical SMILES for 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate is CCCCNC(=O)OCC(CC)NC(=O)OC(C)C.
What is the InChIKey of 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate?
The InChIKey is ZVMFHQAWQKAMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-7-8-14-12(16)18-9-11(6-2)15-13(17)19-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate?
2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate has a molecular weight of 274.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate is sourced from PubChem (CID 654802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).