methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate

C14H26N2O4 — CID 178179531

IUPACmethyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate
SMILESCCN(C(C)=O)C(=O)CCCN(C(=O)OC)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-7-15(11(2)17)12(18)9-8-10-16(13(19)20-6)14(3,4)5/h7-10H2,1-6H3
InChIKeyICLRNOXMNYIGEA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.03
Rot. Bonds5

About methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate

methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate (PubChem CID 178179531) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate
PubChem CID178179531
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate
SMILESCCN(C(C)=O)C(=O)CCCN(C(=O)OC)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-7-15(11(2)17)12(18)9-8-10-16(13(19)20-6)14(3,4)5/h7-10H2,1-6H3
InChIKeyICLRNOXMNYIGEA-UHFFFAOYSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-bromoethyl)-N-tert-butylcarbamate
CID 57482630
methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 142741327
methyl N-tert-butyl-N-(3-oxopropyl)carbamate
CID 175088328
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate
CID 145349487
[5-[4-[tert-butyl(methoxycarbonyl)amino]butylamino]-4-hydroxypentyl] dodecanoate
CID 171814681
tert-butyl N-acetyl-N-ethylcarbamoperoxoate
CID 87996364
methyl N-chloro-N-ethylcarbamate
CID 21281537
3-[tert-butyl(3-ethoxypropylcarbamoyl)amino]propanoic acid
CID 61191596
ethyl 3-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 107445554
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
methyl N,N-ditert-butylcarbamate
CID 12567954

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate?
The IUPAC name of methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate (CID 178179531) is methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate.
What is the SMILES notation for methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate?
The canonical SMILES for methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate is CCN(C(C)=O)C(=O)CCCN(C(=O)OC)C(C)(C)C.
What is the InChIKey of methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate?
The InChIKey is ICLRNOXMNYIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-7-15(11(2)17)12(18)9-8-10-16(13(19)20-6)14(3,4)5/h7-10H2,1-6H3.
What are the key properties of methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate?
methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate has a molecular weight of 286.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate is sourced from PubChem (CID 178179531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).