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

C26H30N2O5 — CID 19886794

IUPAC[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1cc(Oc2ccccc2)c(OC(=O)NCCCC)c2ccccc12
InChIInChI=1S/C26H30N2O5/c1-3-5-16-27-25(29)32-22-18-23(31-19-12-8-7-9-13-19)24(21-15-11-10-14-20(21)22)33-26(30)28-17-6-4-2/h7-15,18H,3-6,16-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyVZLJXHISNVYXLB-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.41
Rot. Bonds10

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

[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate (PubChem CID 19886794) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate.

Molecular Properties

Compound Name[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate
PubChem CID19886794
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1cc(Oc2ccccc2)c(OC(=O)NCCCC)c2ccccc12
InChIInChI=1S/C26H30N2O5/c1-3-5-16-27-25(29)32-22-18-23(31-19-12-8-7-9-13-19)24(21-15-11-10-14-20(21)22)33-26(30)28-17-6-4-2/h7-15,18H,3-6,16-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyVZLJXHISNVYXLB-UHFFFAOYSA-N
XLogP6.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.41
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-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
CID 19886837
[4-(hexylcarbamoyloxy)-3-propoxynaphthalen-1-yl] N-hexylcarbamate
CID 19886828
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406763
[4-(2-methylpropoxycarbonyloxy)-2-phenoxynaphthalen-1-yl] 2-methylpropyl carbonate
CID 153323186
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
N-butyl-4-fluoro-3-phenoxybenzamide
CID 134100866
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
1-butyl-3-(phenoxymethyl)urea
CID 108888779
(2-amino-6-methylphenyl) N-butylcarbamate
CID 91044635

Frequently Asked Questions

What is the IUPAC name of [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate?
The IUPAC name of [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate (CID 19886794) is [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate.
What is the SMILES notation for [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate?
The canonical SMILES for [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate is CCCCNC(=O)Oc1cc(Oc2ccccc2)c(OC(=O)NCCCC)c2ccccc12.
What is the InChIKey of [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate?
The InChIKey is VZLJXHISNVYXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-3-5-16-27-25(29)32-22-18-23(31-19-12-8-7-9-13-19)24(21-15-11-10-14-20(21)22)33-26(30)28-17-6-4-2/h7-15,18H,3-6,16-17H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate?
[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate has a molecular weight of 450.54 g/mol, XLogP of 6.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate is sourced from PubChem (CID 19886794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).