[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate

C19H20N2O4 — CID 171976389

IUPAC[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1(OC(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C19H20N2O4/c22-17(20-15-9-3-1-4-10-15)24-19(13-7-8-14-19)25-18(23)21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,20,22)(H,21,23)
InChIKeyATCYRWINDAXCJR-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.75
Rot. Bonds4

About [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate

[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate (PubChem CID 171976389) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate.

Molecular Properties

Compound Name[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate
PubChem CID171976389
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1(OC(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C19H20N2O4/c22-17(20-15-9-3-1-4-10-15)24-19(13-7-8-14-19)25-18(23)21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,20,22)(H,21,23)
InChIKeyATCYRWINDAXCJR-UHFFFAOYSA-N
XLogP4.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate
CID 154393545
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
1-(1-ethynylcyclohexyl)-3-phenylurea
CID 2806516
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
CID 68594224
CID 68594224
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
1-formamido-N-phenylcyclopentane-1-carboxamide
CID 15065028
N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
CID 110008759
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate
CID 102321130

Frequently Asked Questions

What is the IUPAC name of [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate?
The IUPAC name of [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate (CID 171976389) is [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate.
What is the SMILES notation for [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate?
The canonical SMILES for [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate is O=C(Nc1ccccc1)OC1(OC(=O)Nc2ccccc2)CCCC1.
What is the InChIKey of [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate?
The InChIKey is ATCYRWINDAXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(20-15-9-3-1-4-10-15)24-19(13-7-8-14-19)25-18(23)21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,20,22)(H,21,23).
What are the key properties of [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate?
[1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate has a molecular weight of 340.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(phenylcarbamoyloxy)cyclopentyl] N-phenylcarbamate is sourced from PubChem (CID 171976389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).