tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate

C15H29NO3 — CID 87288558

IUPACtert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate
SMILESCCC(CC)CN(CCCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-13(7-2)12-16(10-8-9-11-17)14(18)19-15(3,4)5/h11,13H,6-10,12H2,1-5H3
InChIKeyGMQQUNAYDJFVCJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.64
Rot. Bonds8

About tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate

tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate (PubChem CID 87288558) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate
PubChem CID87288558
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate
SMILESCCC(CC)CN(CCCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-13(7-2)12-16(10-8-9-11-17)14(18)19-15(3,4)5/h11,13H,6-10,12H2,1-5H3
InChIKeyGMQQUNAYDJFVCJ-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate (CID 87288558) is tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate is CCC(CC)CN(CCCC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate?
The InChIKey is GMQQUNAYDJFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-13(7-2)12-16(10-8-9-11-17)14(18)19-15(3,4)5/h11,13H,6-10,12H2,1-5H3.
What are the key properties of tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate?
tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethylbutyl)-N-(4-oxobutyl)carbamate is sourced from PubChem (CID 87288558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).