ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate

C20H29NO5 — CID 100761921

IUPACethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1OCC
InChIInChI=1S/C20H29NO5/c1-4-24-17-11-10-15(14-16(17)18(22)25-5-2)21-19(23)20(26-6-3)12-8-7-9-13-20/h10-11,14H,4-9,12-13H2,1-3H3,(H,21,23)
InChIKeyVZAPGBIXDPRMBM-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.94
Rot. Bonds8

About ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate

ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate (PubChem CID 100761921) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate
PubChem CID100761921
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Nameethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1OCC
InChIInChI=1S/C20H29NO5/c1-4-24-17-11-10-15(14-16(17)18(22)25-5-2)21-19(23)20(26-6-3)12-8-7-9-13-20/h10-11,14H,4-9,12-13H2,1-3H3,(H,21,23)
InChIKeyVZAPGBIXDPRMBM-UHFFFAOYSA-N
XLogP3.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
ethyl 2-butoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762133
methyl 2-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
ethyl 5-[(1-ethoxycycloheptanecarbonyl)amino]-2-propan-2-yloxybenzoate
CID 100762130
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
ethyl 2-methoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756528
ethyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
CID 100763068
ethyl 2-ethoxy-5-[[(1S,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756976
ethyl 2-ethoxy-5-[[(1S,3R)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756963
methyl 2-ethoxy-5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100763017
ethyl 2-butoxy-5-[(1-ethoxy-3-methylcyclohexanecarbonyl)amino]benzoate
CID 133203950
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate?
The IUPAC name of ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate (CID 100761921) is ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate is CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1OCC.
What is the InChIKey of ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate?
The InChIKey is VZAPGBIXDPRMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-4-24-17-11-10-15(14-16(17)18(22)25-5-2)21-19(23)20(26-6-3)12-8-7-9-13-20/h10-11,14H,4-9,12-13H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate?
ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate has a molecular weight of 363.45 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate is sourced from PubChem (CID 100761921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).