tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate

C17H31NO3 — CID 178156081

IUPACtert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate
SMILESC=CCCCCCOC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H31NO3/c1-6-7-8-9-10-11-20-15-12-14(13-15)18(5)16(19)21-17(2,3)4/h6,14-15H,1,7-13H2,2-5H3
InChIKeyFCERUBCHDXMSMN-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.15
Rot. Bonds8

About tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate

tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate (PubChem CID 178156081) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate
PubChem CID178156081
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate
SMILESC=CCCCCCOC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H31NO3/c1-6-7-8-9-10-11-20-15-12-14(13-15)18(5)16(19)21-17(2,3)4/h6,14-15H,1,7-13H2,2-5H3
InChIKeyFCERUBCHDXMSMN-UHFFFAOYSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]carbamate
CID 69197678
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-[4-(3-bromopropoxy)cyclohexyl]-N-methylcarbamate
CID 69199156
4-[2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxyethyl]piperazine-1-carboxylic acid
CID 138695041
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
tert-butyl 2-[(3R)-3-hex-5-enoxypyrrolidin-1-yl]acetate
CID 166984098
tert-butyl N-[3-[3-(hydroxymethyl)cyclobutyl]oxypropyl]-N-methylcarbamate
CID 167375585
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl 7-[5-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 178156106
1-(3-hept-6-enoxycyclobutyl)-N-methylmethanamine
CID 107007732
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate (CID 178156081) is tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate is C=CCCCCCOC1CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate?
The InChIKey is FCERUBCHDXMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-6-7-8-9-10-11-20-15-12-14(13-15)18(5)16(19)21-17(2,3)4/h6,14-15H,1,7-13H2,2-5H3.
What are the key properties of tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate?
tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate has a molecular weight of 297.44 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate is sourced from PubChem (CID 178156081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).