tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate

C21H42N2O3 — CID 54265387

IUPACtert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate
SMILESCCCCN(CCCC)C(=O)CCCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C21H42N2O3/c1-6-8-17-23(18-9-7-2)19(24)15-13-11-10-12-14-16-22-20(25)26-21(3,4)5/h6-18H2,1-5H3,(H,22,25)
InChIKeyRGJPPNCMUJNRRZ-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.28
Rot. Bonds14

About tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate

tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate (PubChem CID 54265387) has the molecular formula C21H42N2O3 and a molecular weight of 370.58 g/mol. Its IUPAC name is tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate
PubChem CID54265387
Molecular FormulaC21H42N2O3
Molecular Weight370.58 g/mol
Exact Mass370.32
IUPAC Nametert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate
SMILESCCCCN(CCCC)C(=O)CCCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C21H42N2O3/c1-6-8-17-23(18-9-7-2)19(24)15-13-11-10-12-14-16-22-20(25)26-21(3,4)5/h6-18H2,1-5H3,(H,22,25)
InChIKeyRGJPPNCMUJNRRZ-UHFFFAOYSA-N
XLogP5.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.28
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

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tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxoethyl]amino]propyl]carbamate
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tert-butyl N-pentylcarbamate;bis(pentane)
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dodecanoyl 12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoate
CID 88506811
tert-butyl N,N-bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 11800012
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
tert-butyl N-butylcarbamate;methane
CID 153346289
N',N'-dioctadecyl-N-pentylhexanediamide
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tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate?
The IUPAC name of tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate (CID 54265387) is tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate.
What is the SMILES notation for tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate?
The canonical SMILES for tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate is CCCCN(CCCC)C(=O)CCCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate?
The InChIKey is RGJPPNCMUJNRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O3/c1-6-8-17-23(18-9-7-2)19(24)15-13-11-10-12-14-16-22-20(25)26-21(3,4)5/h6-18H2,1-5H3,(H,22,25).
What are the key properties of tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate?
tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate has a molecular weight of 370.58 g/mol, XLogP of 5.28, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[8-(dibutylamino)-8-oxooctyl]carbamate is sourced from PubChem (CID 54265387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).