[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate

C17H22ClNO4 — CID 18078225

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H22ClNO4/c1-11(16(20)19-13-6-4-3-5-7-13)23-17(21)14-10-12(18)8-9-15(14)22-2/h8-11,13H,3-7H2,1-2H3,(H,19,20)
InChIKeyYWLAKARDMWQMAH-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.34
Rot. Bonds5

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate (PubChem CID 18078225) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
PubChem CID18078225
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H22ClNO4/c1-11(16(20)19-13-6-4-3-5-7-13)23-17(21)14-10-12(18)8-9-15(14)22-2/h8-11,13H,3-7H2,1-2H3,(H,19,20)
InChIKeyYWLAKARDMWQMAH-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate with MolForge

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Related Compounds

[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738486
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620496
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738386
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 11908881
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414191
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 42901625
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651306
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7581899
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 16505344
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651780

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate (CID 18078225) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OC(C)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate?
The InChIKey is YWLAKARDMWQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO4/c1-11(16(20)19-13-6-4-3-5-7-13)23-17(21)14-10-12(18)8-9-15(14)22-2/h8-11,13H,3-7H2,1-2H3,(H,19,20).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate has a molecular weight of 339.82 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 18078225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).