cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid

C22H28N2O5 — CID 143865612

IUPACcyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
SMILESCOCC(=O)O.O=C(OCC1CCCCC1)N(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H22N2O2.C3H6O3/c22-19(23-15-16-9-3-1-4-10-16)21(17-11-5-2-6-12-17)18-13-7-8-14-20-18;1-6-2-3(4)5/h2,5-8,11-14,16H,1,3-4,9-10,15H2;2H2,1H3,(H,4,5)
InChIKeyOIYHVYZPOYOOOJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.65
Rot. Bonds6

About cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid

cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid (PubChem CID 143865612) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid.

Molecular Properties

Compound Namecyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
PubChem CID143865612
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Namecyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
SMILESCOCC(=O)O.O=C(OCC1CCCCC1)N(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H22N2O2.C3H6O3/c22-19(23-15-16-9-3-1-4-10-16)21(17-11-5-2-6-12-17)18-13-7-8-14-20-18;1-6-2-3(4)5/h2,5-8,11-14,16H,1,3-4,9-10,15H2;2H2,1H3,(H,4,5)
InChIKeyOIYHVYZPOYOOOJ-UHFFFAOYSA-N
XLogP4.65
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
CID 169189359
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
CID 143865566
cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
CID 143865577
cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
CID 143865582
3-(cyclohexylmethyl)-1-(3-fluorophenyl)-1-phenylurea;2-methoxyacetic acid
CID 143865610
2-(cyclohexylmethylamino)-N-methyl-N-pyridin-2-ylacetamide
CID 101057675
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
CID 143865656
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid?
The IUPAC name of cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid (CID 143865612) is cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid.
What is the SMILES notation for cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid?
The canonical SMILES for cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid is COCC(=O)O.O=C(OCC1CCCCC1)N(c1ccccc1)c1ccccn1.
What is the InChIKey of cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid?
The InChIKey is OIYHVYZPOYOOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C3H6O3/c22-19(23-15-16-9-3-1-4-10-16)21(17-11-5-2-6-12-17)18-13-7-8-14-20-18;1-6-2-3(4)5/h2,5-8,11-14,16H,1,3-4,9-10,15H2;2H2,1H3,(H,4,5).
What are the key properties of cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid?
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid has a molecular weight of 400.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid is sourced from PubChem (CID 143865612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).