ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate

C19H28N2O4 — CID 119338388

IUPACethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CCNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C19H28N2O4/c1-2-24-17(22)14-25-16-8-6-15(7-9-16)10-13-21-18(23)19(20)11-4-3-5-12-19/h6-9H,2-5,10-14,20H2,1H3,(H,21,23)
InChIKeyAIFXNIVUFQPAKK-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.95
Rot. Bonds8

About ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate

ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate (PubChem CID 119338388) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
PubChem CID119338388
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nameethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CCNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C19H28N2O4/c1-2-24-17(22)14-25-16-8-6-15(7-9-16)10-13-21-18(23)19(20)11-4-3-5-12-19/h6-9H,2-5,10-14,20H2,1H3,(H,21,23)
InChIKeyAIFXNIVUFQPAKK-UHFFFAOYSA-N
XLogP1.95
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate with MolForge

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Related Compounds

1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119310374
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 119307278
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
ethyl 2-[4-[2-[bis(ethylamino)methylideneamino]ethyl]phenoxy]acetate
CID 111465812
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate (CID 119338388) is ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate is CCOC(=O)COc1ccc(CCNC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate?
The InChIKey is AIFXNIVUFQPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-24-17(22)14-25-16-8-6-15(7-9-16)10-13-21-18(23)19(20)11-4-3-5-12-19/h6-9H,2-5,10-14,20H2,1H3,(H,21,23).
What are the key properties of ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate?
ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate has a molecular weight of 348.44 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate is sourced from PubChem (CID 119338388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).