octadecyl N-propylcarbamate

C22H45NO2 — CID 175015942

IUPACoctadecyl N-propylcarbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)NCCC
InChIInChI=1S/C22H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(24)23-20-4-2/h3-21H2,1-2H3,(H,23,24)
InChIKeyDILXJQZXWZUBGH-UHFFFAOYSA-N
MW355.61 g/mol
LogP7.38
Rot. Bonds19

About octadecyl N-propylcarbamate

octadecyl N-propylcarbamate (PubChem CID 175015942) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is octadecyl N-propylcarbamate.

Molecular Properties

Compound Nameoctadecyl N-propylcarbamate
PubChem CID175015942
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Nameoctadecyl N-propylcarbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)NCCC
InChIInChI=1S/C22H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(24)23-20-4-2/h3-21H2,1-2H3,(H,23,24)
InChIKeyDILXJQZXWZUBGH-UHFFFAOYSA-N
XLogP7.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 57.38
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

undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
3-(octoxycarbonylamino)propanoic acid
CID 11096866
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
octadec-9-enyl N-butylcarbamate
CID 91581457
3-(propylamino)propyl N-propylcarbamate
CID 166733433
12-sulfanyldodecyl N-butylcarbamate
CID 102593789
hexyl 2-oxo-2-(propylamino)acetate
CID 6420423

Frequently Asked Questions

What is the IUPAC name of octadecyl N-propylcarbamate?
The IUPAC name of octadecyl N-propylcarbamate (CID 175015942) is octadecyl N-propylcarbamate.
What is the SMILES notation for octadecyl N-propylcarbamate?
The canonical SMILES for octadecyl N-propylcarbamate is CCCCCCCCCCCCCCCCCCOC(=O)NCCC.
What is the InChIKey of octadecyl N-propylcarbamate?
The InChIKey is DILXJQZXWZUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(24)23-20-4-2/h3-21H2,1-2H3,(H,23,24).
What are the key properties of octadecyl N-propylcarbamate?
octadecyl N-propylcarbamate has a molecular weight of 355.61 g/mol, XLogP of 7.38, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl N-propylcarbamate is sourced from PubChem (CID 175015942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).