ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate

C25H31N3O5 — CID 66761978

IUPACethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Oc2ccc(C(=O)NCCNC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C25H31N3O5/c1-2-32-24(30)19-10-14-22(15-11-19)33-21-12-8-18(9-13-21)23(29)26-16-17-27-25(31)28-20-6-4-3-5-7-20/h3-9,12-13,19,22H,2,10-11,14-17H2,1H3,(H,26,29)(H2,27,28,31)
InChIKeyUUMAMFZLFWZQJV-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.74
Rot. Bonds9

About ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate

ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate (PubChem CID 66761978) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate
PubChem CID66761978
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Nameethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Oc2ccc(C(=O)NCCNC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C25H31N3O5/c1-2-32-24(30)19-10-14-22(15-11-19)33-21-12-8-18(9-13-21)23(29)26-16-17-27-25(31)28-20-6-4-3-5-7-20/h3-9,12-13,19,22H,2,10-11,14-17H2,1H3,(H,26,29)(H2,27,28,31)
InChIKeyUUMAMFZLFWZQJV-UHFFFAOYSA-N
XLogP3.74
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-[2-[(3,4-dichloro-3-methylcyclohexa-1,5-diene-1-carbonyl)amino]ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate
CID 89020824
ethyl 4-[4-[2-[(4-cyclopropyl-3-methylcyclohexa-1,5-diene-1-carbonyl)amino]ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate
CID 70840626
ethyl 4-[4-[4-[[4-(2-methylpropyl)benzoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylate
CID 158863273
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate
CID 66762365
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537565
ethyl 4-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 66761492
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate (CID 66761978) is ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Oc2ccc(C(=O)NCCNC(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate?
The InChIKey is UUMAMFZLFWZQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-2-32-24(30)19-10-14-22(15-11-19)33-21-12-8-18(9-13-21)23(29)26-16-17-27-25(31)28-20-6-4-3-5-7-20/h3-9,12-13,19,22H,2,10-11,14-17H2,1H3,(H,26,29)(H2,27,28,31).
What are the key properties of ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate?
ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 66761978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).