ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane

C20H47NO2 — CID 144560369

IUPACethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
SMILESCC.CCC.CCCCCCCCCNC(=O)OC(C)(C)CC.[H][H]
InChIInChI=1S/C15H31NO2.C3H8.C2H6.H2/c1-5-7-8-9-10-11-12-13-16-14(17)18-15(3,4)6-2;1-3-2;1-2;/h5-13H2,1-4H3,(H,16,17);3H2,1-2H3;1-2H3;1H
InChIKeyIYKJXDJADNWFGJ-UHFFFAOYSA-N
MW333.60 g/mol
LogP7.34
Rot. Bonds10

About ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane

ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane (PubChem CID 144560369) has the molecular formula C20H47NO2 and a molecular weight of 333.60 g/mol. Its IUPAC name is ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane.

Molecular Properties

Compound Nameethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
PubChem CID144560369
Molecular FormulaC20H47NO2
Molecular Weight333.60 g/mol
Exact Mass333.36
IUPAC Nameethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
SMILESCC.CCC.CCCCCCCCCNC(=O)OC(C)(C)CC.[H][H]
InChIInChI=1S/C15H31NO2.C3H8.C2H6.H2/c1-5-7-8-9-10-11-12-13-16-14(17)18-15(3,4)6-2;1-3-2;1-2;/h5-13H2,1-4H3,(H,16,17);3H2,1-2H3;1-2H3;1H
InChIKeyIYKJXDJADNWFGJ-UHFFFAOYSA-N
XLogP7.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-nonylcarbamate;ethane
CID 168941348
8-(2-methylbutan-2-yloxycarbonylamino)octanoate
CID 155764709
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
CID 90076099
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
methyl N-nonylcarbamate
CID 5102101
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
nonylcarbamoperoxoic acid
CID 140999734
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane?
The IUPAC name of ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane (CID 144560369) is ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane.
What is the SMILES notation for ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane?
The canonical SMILES for ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane is CC.CCC.CCCCCCCCCNC(=O)OC(C)(C)CC.[H][H].
What is the InChIKey of ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane?
The InChIKey is IYKJXDJADNWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.C3H8.C2H6.H2/c1-5-7-8-9-10-11-12-13-16-14(17)18-15(3,4)6-2;1-3-2;1-2;/h5-13H2,1-4H3,(H,16,17);3H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane?
ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane has a molecular weight of 333.60 g/mol, XLogP of 7.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane is sourced from PubChem (CID 144560369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).