cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide

C23H29ClN2O4 — CID 169189359

IUPACcyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
SMILESCOCC(N)=O.O=C(OCC1CCCCC1)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO2.C3H7NO2/c21-17-11-13-19(14-12-17)22(18-9-5-2-6-10-18)20(23)24-15-16-7-3-1-4-8-16;1-6-2-3(4)5/h2,5-6,9-14,16H,1,3-4,7-8,15H2;2H2,1H3,(H2,4,5)
InChIKeyGYIWHLDOYMKYLD-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.31
Rot. Bonds6

About cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide

cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide (PubChem CID 169189359) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide.

Molecular Properties

Compound Namecyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
PubChem CID169189359
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Namecyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
SMILESCOCC(N)=O.O=C(OCC1CCCCC1)N(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO2.C3H7NO2/c21-17-11-13-19(14-12-17)22(18-9-5-2-6-10-18)20(23)24-15-16-7-3-1-4-8-16;1-6-2-3(4)5/h2,5-6,9-14,16H,1,3-4,7-8,15H2;2H2,1H3,(H2,4,5)
InChIKeyGYIWHLDOYMKYLD-UHFFFAOYSA-N
XLogP5.31
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
CID 143865656
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
CID 143865612
cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
CID 143865566
propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate
CID 170655002
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
2-[[2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetyl]amino]ethanesulfonic acid;hydrate
CID 88876702
potassium;2-[[2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetyl]amino]ethanesulfonic acid;hydride
CID 173465986
benzoic acid;methoxymethylcyclohexane
CID 175415905
ethyl N,N-bis(4-chlorophenyl)carbamate
CID 67612549
2-[[2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetyl]amino]ethylsulfonyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 88876922
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide?
The IUPAC name of cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide (CID 169189359) is cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide.
What is the SMILES notation for cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide?
The canonical SMILES for cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide is COCC(N)=O.O=C(OCC1CCCCC1)N(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide?
The InChIKey is GYIWHLDOYMKYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2.C3H7NO2/c21-17-11-13-19(14-12-17)22(18-9-5-2-6-10-18)20(23)24-15-16-7-3-1-4-8-16;1-6-2-3(4)5/h2,5-6,9-14,16H,1,3-4,7-8,15H2;2H2,1H3,(H2,4,5).
What are the key properties of cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide?
cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide has a molecular weight of 432.95 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide is sourced from PubChem (CID 169189359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).