[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate

C22H30N2O5 — CID 19886837

IUPAC[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1cc(OCC)c(OC(=O)NCCCC)c2ccccc12
InChIInChI=1S/C22H30N2O5/c1-4-7-13-23-21(25)28-18-15-19(27-6-3)20(17-12-10-9-11-16(17)18)29-22(26)24-14-8-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRSZVOQUQEFYXLS-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.02
Rot. Bonds10

About [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate

[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate (PubChem CID 19886837) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate.

Molecular Properties

Compound Name[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
PubChem CID19886837
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1cc(OCC)c(OC(=O)NCCCC)c2ccccc12
InChIInChI=1S/C22H30N2O5/c1-4-7-13-23-21(25)28-18-15-19(27-6-3)20(17-12-10-9-11-16(17)18)29-22(26)24-14-8-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRSZVOQUQEFYXLS-UHFFFAOYSA-N
XLogP5.02
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(hexylcarbamoyloxy)-3-propoxynaphthalen-1-yl] N-hexylcarbamate
CID 19886828
[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate
CID 19886794
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
[3-ethoxy-7,8-dimethyl-4-(2-methylhexylcarbamoyloxy)naphthalen-1-yl] N-(2-methylhexyl)carbamate
CID 19886691
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate
CID 19873053
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
(2-amino-6-methylphenyl) N-butylcarbamate
CID 91044635
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940

Frequently Asked Questions

What is the IUPAC name of [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate?
The IUPAC name of [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate (CID 19886837) is [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate.
What is the SMILES notation for [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate?
The canonical SMILES for [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate is CCCCNC(=O)Oc1cc(OCC)c(OC(=O)NCCCC)c2ccccc12.
What is the InChIKey of [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate?
The InChIKey is RSZVOQUQEFYXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-4-7-13-23-21(25)28-18-15-19(27-6-3)20(17-12-10-9-11-16(17)18)29-22(26)24-14-8-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate?
[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate has a molecular weight of 402.49 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate is sourced from PubChem (CID 19886837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).