propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate

C26H32ClNO5 — CID 170655002

IUPACpropyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate
SMILESCCCOC(=O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H32ClNO5/c1-2-16-32-25(29)19-31-17-20-8-10-21(11-9-20)18-33-26(30)28(23-6-4-3-5-7-23)24-14-12-22(27)13-15-24/h3-7,12-15,20-21H,2,8-11,16-19H2,1H3
InChIKeyVJAVYXNTTBLSJX-UHFFFAOYSA-N
MW474.00 g/mol
LogP6.39
Rot. Bonds10

About propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate

propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate (PubChem CID 170655002) has the molecular formula C26H32ClNO5 and a molecular weight of 474.00 g/mol. Its IUPAC name is propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate.

Molecular Properties

Compound Namepropyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate
PubChem CID170655002
Molecular FormulaC26H32ClNO5
Molecular Weight474.00 g/mol
Exact Mass473.20
IUPAC Namepropyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate
SMILESCCCOC(=O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H32ClNO5/c1-2-16-32-25(29)19-31-17-20-8-10-21(11-9-20)18-33-26(30)28(23-6-4-3-5-7-23)24-14-12-22(27)13-15-24/h3-7,12-15,20-21H,2,8-11,16-19H2,1H3
InChIKeyVJAVYXNTTBLSJX-UHFFFAOYSA-N
XLogP6.39
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate with MolForge

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Related Compounds

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
cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
CID 169189359
cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
CID 143865656
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
2-[[2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetyl]amino]ethylsulfonyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 88876922
ethyl N,N-bis(4-chlorophenyl)carbamate
CID 67612549
2-[[4-[[[(4-chloro-2-fluorophenyl)-phenylcarbamoyl]amino]methyl]cyclohexyl]methoxy]acetic acid
CID 151116248
cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
CID 143865566
1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
CID 86237214
cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
CID 143865577
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
CID 143865612

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate?
The IUPAC name of propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate (CID 170655002) is propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate.
What is the SMILES notation for propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate?
The canonical SMILES for propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate is CCCOC(=O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate?
The InChIKey is VJAVYXNTTBLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClNO5/c1-2-16-32-25(29)19-31-17-20-8-10-21(11-9-20)18-33-26(30)28(23-6-4-3-5-7-23)24-14-12-22(27)13-15-24/h3-7,12-15,20-21H,2,8-11,16-19H2,1H3.
What are the key properties of propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate?
propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate has a molecular weight of 474.00 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate is sourced from PubChem (CID 170655002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).