cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate

C21H25NO3 — CID 143865566

IUPACcyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
SMILESCOc1cccc(N(C(=O)OCC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-24-20-14-8-13-19(15-20)22(18-11-6-3-7-12-18)21(23)25-16-17-9-4-2-5-10-17/h3,6-8,11-15,17H,2,4-5,9-10,16H2,1H3
InChIKeyIEAUOGIMKUHPIF-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.55
Rot. Bonds5

About cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate

cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate (PubChem CID 143865566) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
PubChem CID143865566
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Namecyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
SMILESCOc1cccc(N(C(=O)OCC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-24-20-14-8-13-19(15-20)22(18-11-6-3-7-12-18)21(23)25-16-17-9-4-2-5-10-17/h3,6-8,11-15,17H,2,4-5,9-10,16H2,1H3
InChIKeyIEAUOGIMKUHPIF-UHFFFAOYSA-N
XLogP5.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
CID 143865577
cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
CID 169189359
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
CID 143865612
N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
CID 166763856
cyclohexylmethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855594
benzyl N-amino-N-(3-methoxyphenyl)carbamate
CID 70405892
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
benzoic acid;methoxymethylcyclohexane
CID 175415905
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
cyclododecylmethyl 2-(2,4-dimethoxyphenyl)-2-oxoacetate
CID 10023300
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate?
The IUPAC name of cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate (CID 143865566) is cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate.
What is the SMILES notation for cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate?
The canonical SMILES for cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate is COc1cccc(N(C(=O)OCC2CCCCC2)c2ccccc2)c1.
What is the InChIKey of cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate?
The InChIKey is IEAUOGIMKUHPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-20-14-8-13-19(15-20)22(18-11-6-3-7-12-18)21(23)25-16-17-9-4-2-5-10-17/h3,6-8,11-15,17H,2,4-5,9-10,16H2,1H3.
What are the key properties of cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate?
cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate has a molecular weight of 339.44 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate is sourced from PubChem (CID 143865566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).