2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate

C14H28N2O3 — CID 130304741

IUPAC2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate
SMILESCCC=NOCCOC(=O)N(C)CCCCCCC
InChIInChI=1S/C14H28N2O3/c1-4-6-7-8-9-11-16(3)14(17)18-12-13-19-15-10-5-2/h10H,4-9,11-13H2,1-3H3
InChIKeyUQANMRMYIVLWPR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.44
Rot. Bonds11

About 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate

2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate (PubChem CID 130304741) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate.

Molecular Properties

Compound Name2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate
PubChem CID130304741
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate
SMILESCCC=NOCCOC(=O)N(C)CCCCCCC
InChIInChI=1S/C14H28N2O3/c1-4-6-7-8-9-11-16(3)14(17)18-12-13-19-15-10-5-2/h10H,4-9,11-13H2,1-3H3
InChIKeyUQANMRMYIVLWPR-UHFFFAOYSA-N
XLogP3.44
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

undecyl N-methyl-N-pentylcarbamate
CID 54297307
ethyl N-methyl-N-octylcarbamate
CID 15790108
pentyl N-methyl-N-propylcarbamate
CID 58662040
methyl N-hexyl-N-methylcarbamate
CID 14923771
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
methyl-(6-oxo-6-undecoxyhexyl)carbamic acid;undecyl N-methyl-N-pentylcarbamate
CID 173281118
[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104
propan-2-yl N-methyl-N-octylcarbamate
CID 166755395
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
octyl N,N-di(undecyl)carbamate
CID 168918683
octyl N,N-di(nonyl)carbamate
CID 168918776

Frequently Asked Questions

What is the IUPAC name of 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate?
The IUPAC name of 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate (CID 130304741) is 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate.
What is the SMILES notation for 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate?
The canonical SMILES for 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate is CCC=NOCCOC(=O)N(C)CCCCCCC.
What is the InChIKey of 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate?
The InChIKey is UQANMRMYIVLWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-6-7-8-9-11-16(3)14(17)18-12-13-19-15-10-5-2/h10H,4-9,11-13H2,1-3H3.
What are the key properties of 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate?
2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate has a molecular weight of 272.39 g/mol, XLogP of 3.44, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate is sourced from PubChem (CID 130304741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).