tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate

C14H25NO3 — CID 165471374

IUPACtert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate
SMILESCC(CC(=O)CN(C)C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H25NO3/c1-10(11-6-7-11)8-12(16)9-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeySTCJLGWGKNDIGJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate

tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate (PubChem CID 165471374) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate
PubChem CID165471374
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate
SMILESCC(CC(=O)CN(C)C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H25NO3/c1-10(11-6-7-11)8-12(16)9-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeySTCJLGWGKNDIGJ-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
tert-butyl N-[2-(dicyclopropylmethylamino)ethyl]-N-methylcarbamate
CID 103780550
tert-butyl N-[3-(2-ethylcyclopropyl)-2-oxopropyl]-N-methylcarbamate
CID 165465296
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate
CID 163398675
tert-butyl N-[2-(3,3-difluorocyclobutyl)-2-hydroxyethyl]-N-methylcarbamate
CID 167740963
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate (CID 165471374) is tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate is CC(CC(=O)CN(C)C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate?
The InChIKey is STCJLGWGKNDIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(11-6-7-11)8-12(16)9-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate?
tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-cyclopropyl-2-oxopentyl)-N-methylcarbamate is sourced from PubChem (CID 165471374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).