tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate

C19H39NO3 — CID 106507449

IUPACtert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate
SMILESCCCCCCCCC(CO)(CCC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO3/c1-6-8-9-10-11-12-14-19(16-21,13-7-2)15-20-17(22)23-18(3,4)5/h21H,6-16H2,1-5H3,(H,20,22)
InChIKeyALZWXDLLLHYUQE-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.04
Rot. Bonds12

About tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate

tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate (PubChem CID 106507449) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate
PubChem CID106507449
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate
SMILESCCCCCCCCC(CO)(CCC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO3/c1-6-8-9-10-11-12-14-19(16-21,13-7-2)15-20-17(22)23-18(3,4)5/h21H,6-16H2,1-5H3,(H,20,22)
InChIKeyALZWXDLLLHYUQE-UHFFFAOYSA-N
XLogP5.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)-5-methoxy-2-propylpentyl]carbamate
CID 106507473
tert-butyl N-[2-(hydroxymethyl)-2-(2-methylpropyl)heptyl]carbamate
CID 106507949
tert-butyl N-[5-ethylsulfanyl-2-(hydroxymethyl)-2-propylpentyl]carbamate
CID 106507472
tert-butyl N-[2-(2-ethylsulfanylethyl)-2-(hydroxymethyl)pentyl]carbamate
CID 106507524
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[4-ethyl-2-(hydroxymethyl)-2-propylhexyl]carbamate
CID 106507447
tert-butyl N-[2-(hydroxymethyl)-2-[2-(oxolan-2-yl)ethyl]pentyl]carbamate
CID 106507509
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
CID 106507460
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-hydroxy-2-(hydroxymethyl)-2-methylhexyl]carbamate
CID 163443382

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate (CID 106507449) is tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate is CCCCCCCCC(CO)(CCC)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate?
The InChIKey is ALZWXDLLLHYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-6-8-9-10-11-12-14-19(16-21,13-7-2)15-20-17(22)23-18(3,4)5/h21H,6-16H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate has a molecular weight of 329.53 g/mol, XLogP of 5.04, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-2-propyldecyl]carbamate is sourced from PubChem (CID 106507449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).