but-3-ynyl N-(4-cyclononylbutyl)carbamate

C18H31NO2 — CID 167157610

IUPACbut-3-ynyl N-(4-cyclononylbutyl)carbamate
SMILESC#CCCOC(=O)NCCCCC1CCCCCCCC1
InChIInChI=1S/C18H31NO2/c1-2-3-16-21-18(20)19-15-11-10-14-17-12-8-6-4-5-7-9-13-17/h1,17H,3-16H2,(H,19,20)
InChIKeyLGSFLWVMIWWXPX-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.66
Rot. Bonds7

About but-3-ynyl N-(4-cyclononylbutyl)carbamate

but-3-ynyl N-(4-cyclononylbutyl)carbamate (PubChem CID 167157610) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is but-3-ynyl N-(4-cyclononylbutyl)carbamate.

Molecular Properties

Compound Namebut-3-ynyl N-(4-cyclononylbutyl)carbamate
PubChem CID167157610
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Namebut-3-ynyl N-(4-cyclononylbutyl)carbamate
SMILESC#CCCOC(=O)NCCCCC1CCCCCCCC1
InChIInChI=1S/C18H31NO2/c1-2-3-16-21-18(20)19-15-11-10-14-17-12-8-6-4-5-7-9-13-17/h1,17H,3-16H2,(H,19,20)
InChIKeyLGSFLWVMIWWXPX-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
CID 114264857
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
CID 71441394
2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
CID 70951802
3-cyclohexylpropylcarbamic acid
CID 54479876
1-amino-N-(4-cyclopentylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119790854
(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
CID 164901187
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
2-phenylethyl N-(2-cycloheptylethyl)carbamate
CID 54473124
3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315

Frequently Asked Questions

What is the IUPAC name of but-3-ynyl N-(4-cyclononylbutyl)carbamate?
The IUPAC name of but-3-ynyl N-(4-cyclononylbutyl)carbamate (CID 167157610) is but-3-ynyl N-(4-cyclononylbutyl)carbamate.
What is the SMILES notation for but-3-ynyl N-(4-cyclononylbutyl)carbamate?
The canonical SMILES for but-3-ynyl N-(4-cyclononylbutyl)carbamate is C#CCCOC(=O)NCCCCC1CCCCCCCC1.
What is the InChIKey of but-3-ynyl N-(4-cyclononylbutyl)carbamate?
The InChIKey is LGSFLWVMIWWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-3-16-21-18(20)19-15-11-10-14-17-12-8-6-4-5-7-9-13-17/h1,17H,3-16H2,(H,19,20).
What are the key properties of but-3-ynyl N-(4-cyclononylbutyl)carbamate?
but-3-ynyl N-(4-cyclononylbutyl)carbamate has a molecular weight of 293.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynyl N-(4-cyclononylbutyl)carbamate is sourced from PubChem (CID 167157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).