(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate

C19H19NO2 — CID 588584

IUPAC(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate
SMILESC#CC1(OC(=O)Nc2cccc3ccccc23)CCCCC1
InChIInChI=1S/C19H19NO2/c1-2-19(13-6-3-7-14-19)22-18(21)20-17-12-8-10-15-9-4-5-11-16(15)17/h1,4-5,8-12H,3,6-7,13-14H2,(H,20,21)
InChIKeyVGAKBEUWFJUZNI-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.72
Rot. Bonds2

About (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate

(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate (PubChem CID 588584) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate
PubChem CID588584
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate
SMILESC#CC1(OC(=O)Nc2cccc3ccccc23)CCCCC1
InChIInChI=1S/C19H19NO2/c1-2-19(13-6-3-7-14-19)22-18(21)20-17-12-8-10-15-9-4-5-11-16(15)17/h1,4-5,8-12H,3,6-7,13-14H2,(H,20,21)
InChIKeyVGAKBEUWFJUZNI-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
(1-ethynylcyclohexyl) N-ethenylcarbamate
CID 45091878
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
(2-carbamoylphenyl) N-naphthalen-1-ylcarbamate
CID 4121359
naphthalen-1-ylurea;hydrochloride
CID 141142203
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537

Frequently Asked Questions

What is the IUPAC name of (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate?
The IUPAC name of (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate (CID 588584) is (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate.
What is the SMILES notation for (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate?
The canonical SMILES for (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate is C#CC1(OC(=O)Nc2cccc3ccccc23)CCCCC1.
What is the InChIKey of (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate?
The InChIKey is VGAKBEUWFJUZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-19(13-6-3-7-14-19)22-18(21)20-17-12-8-10-15-9-4-5-11-16(15)17/h1,4-5,8-12H,3,6-7,13-14H2,(H,20,21).
What are the key properties of (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate?
(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate has a molecular weight of 293.37 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 588584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).