methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate

C19H27NO5 — CID 100766696

IUPACmethyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
SMILESCCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCCC1
InChIInChI=1S/C19H27NO5/c1-4-12-25-19(10-6-7-11-19)18(22)20-14-8-9-16(24-5-2)15(13-14)17(21)23-3/h8-9,13H,4-7,10-12H2,1-3H3,(H,20,22)
InChIKeyUKSNKEWTEQWCRQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds8

About methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate

methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate (PubChem CID 100766696) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
PubChem CID100766696
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namemethyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
SMILESCCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCCC1
InChIInChI=1S/C19H27NO5/c1-4-12-25-19(10-6-7-11-19)18(22)20-14-8-9-16(24-5-2)15(13-14)17(21)23-3/h8-9,13H,4-7,10-12H2,1-3H3,(H,20,22)
InChIKeyUKSNKEWTEQWCRQ-UHFFFAOYSA-N
XLogP3.55
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 133205414
ethyl 2-ethoxy-5-[(1-ethoxycyclohexanecarbonyl)amino]benzoate
CID 100761921
methyl 2-butoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756523
methyl 2-ethoxy-5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100763017
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269
methyl 5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100762284
ethyl 2-butoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762133
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
methyl 2-ethoxy-5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756804
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
The IUPAC name of methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate (CID 100766696) is methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate is CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCCC1.
What is the InChIKey of methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
The InChIKey is UKSNKEWTEQWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-4-12-25-19(10-6-7-11-19)18(22)20-14-8-9-16(24-5-2)15(13-14)17(21)23-3/h8-9,13H,4-7,10-12H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate has a molecular weight of 349.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate is sourced from PubChem (CID 100766696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).