(2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate

C14H29NO3 — CID 144862258

IUPAC(2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate
SMILESCCCCNC(=O)OCC(C)(C)C(C)OC(C)C
InChIInChI=1S/C14H29NO3/c1-7-8-9-15-13(16)17-10-14(5,6)12(4)18-11(2)3/h11-12H,7-10H2,1-6H3,(H,15,16)
InChIKeyNHOQAPCXSSTWAM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.35
Rot. Bonds8

About (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate

(2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate (PubChem CID 144862258) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate.

Molecular Properties

Compound Name(2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate
PubChem CID144862258
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name(2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate
SMILESCCCCNC(=O)OCC(C)(C)C(C)OC(C)C
InChIInChI=1S/C14H29NO3/c1-7-8-9-15-13(16)17-10-14(5,6)12(4)18-11(2)3/h11-12H,7-10H2,1-6H3,(H,15,16)
InChIKeyNHOQAPCXSSTWAM-UHFFFAOYSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl] N-butylcarbamate
CID 21128467
2-iodopropyl N-butylcarbamate
CID 175153431
aminomethyl N-butylcarbamate
CID 139491046
2,2,3,3,4,4,4-heptafluorobutyl N-butylcarbamate
CID 88880024
2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
CID 654802
tert-butyl N-butylcarbamate;methane
CID 153346289
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
[2-(dodecylcarbamoyloxymethyl)-2-methylbut-3-enyl] N-dodecylcarbamate
CID 156510660
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl] N-ethylcarbamate
CID 87800600

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate?
The IUPAC name of (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate (CID 144862258) is (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate.
What is the SMILES notation for (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate?
The canonical SMILES for (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate is CCCCNC(=O)OCC(C)(C)C(C)OC(C)C.
What is the InChIKey of (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate?
The InChIKey is NHOQAPCXSSTWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-7-8-9-15-13(16)17-10-14(5,6)12(4)18-11(2)3/h11-12H,7-10H2,1-6H3,(H,15,16).
What are the key properties of (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate?
(2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate has a molecular weight of 259.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-propan-2-yloxybutyl) N-butylcarbamate is sourced from PubChem (CID 144862258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).