dodecyl N-(4-ethenoxybutyl)carbamate

C19H37NO3 — CID 54048350

IUPACdodecyl N-(4-ethenoxybutyl)carbamate
SMILESC=COCCCCNC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C19H37NO3/c1-3-5-6-7-8-9-10-11-12-14-18-23-19(21)20-16-13-15-17-22-4-2/h4H,2-3,5-18H2,1H3,(H,20,21)
InChIKeyLRDKQIUTIQKXSW-UHFFFAOYSA-N
MW327.51 g/mol
LogP5.57
Rot. Bonds17

About dodecyl N-(4-ethenoxybutyl)carbamate

dodecyl N-(4-ethenoxybutyl)carbamate (PubChem CID 54048350) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is dodecyl N-(4-ethenoxybutyl)carbamate.

Molecular Properties

Compound Namedodecyl N-(4-ethenoxybutyl)carbamate
PubChem CID54048350
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namedodecyl N-(4-ethenoxybutyl)carbamate
SMILESC=COCCCCNC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C19H37NO3/c1-3-5-6-7-8-9-10-11-12-14-18-23-19(21)20-16-13-15-17-22-4-2/h4H,2-3,5-18H2,1H3,(H,20,21)
InChIKeyLRDKQIUTIQKXSW-UHFFFAOYSA-N
XLogP5.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
octadecyl N-propylcarbamate
CID 175015942
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
octadec-9-enyl N-butylcarbamate
CID 91581457

Frequently Asked Questions

What is the IUPAC name of dodecyl N-(4-ethenoxybutyl)carbamate?
The IUPAC name of dodecyl N-(4-ethenoxybutyl)carbamate (CID 54048350) is dodecyl N-(4-ethenoxybutyl)carbamate.
What is the SMILES notation for dodecyl N-(4-ethenoxybutyl)carbamate?
The canonical SMILES for dodecyl N-(4-ethenoxybutyl)carbamate is C=COCCCCNC(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl N-(4-ethenoxybutyl)carbamate?
The InChIKey is LRDKQIUTIQKXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-3-5-6-7-8-9-10-11-12-14-18-23-19(21)20-16-13-15-17-22-4-2/h4H,2-3,5-18H2,1H3,(H,20,21).
What are the key properties of dodecyl N-(4-ethenoxybutyl)carbamate?
dodecyl N-(4-ethenoxybutyl)carbamate has a molecular weight of 327.51 g/mol, XLogP of 5.57, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl N-(4-ethenoxybutyl)carbamate is sourced from PubChem (CID 54048350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).