ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate

C17H24N2O4 — CID 72940252

IUPACethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-23-16(21)11-12-3-5-13(6-4-12)18-17(22)19-14-7-9-15(20)10-8-14/h3-6,14-15,20H,2,7-11H2,1H3,(H2,18,19,22)
InChIKeyMGXNABZNQYTYFU-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate

ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate (PubChem CID 72940252) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate
PubChem CID72940252
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-23-16(21)11-12-3-5-13(6-4-12)18-17(22)19-14-7-9-15(20)10-8-14/h3-6,14-15,20H,2,7-11H2,1H3,(H2,18,19,22)
InChIKeyMGXNABZNQYTYFU-UHFFFAOYSA-N
XLogP2.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110900571
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate
CID 48588082
1-[2-(ethoxymethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 110902703
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60612038
ethyl 2-[4-[[(1R)-1-iodoethyl]amino]phenyl]acetate
CID 142030495
ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate
CID 124673407

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate (CID 72940252) is ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate?
The InChIKey is MGXNABZNQYTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-23-16(21)11-12-3-5-13(6-4-12)18-17(22)19-14-7-9-15(20)10-8-14/h3-6,14-15,20H,2,7-11H2,1H3,(H2,18,19,22).
What are the key properties of ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate?
ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate has a molecular weight of 320.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate is sourced from PubChem (CID 72940252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).