tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate

C14H25NO3 — CID 165471531

IUPACtert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
SMILESCC1CC1CC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10-8-11(10)9-12(16)6-7-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyFDNMTKZZUKIORR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate

tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate (PubChem CID 165471531) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
PubChem CID165471531
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
SMILESCC1CC1CC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10-8-11(10)9-12(16)6-7-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyFDNMTKZZUKIORR-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

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tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
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1-adamantyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
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tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate
CID 174283241
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
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tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
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tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate (CID 165471531) is tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate is CC1CC1CC(=O)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate?
The InChIKey is FDNMTKZZUKIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-8-11(10)9-12(16)6-7-15(5)13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate?
tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate 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-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate is sourced from PubChem (CID 165471531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).