[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

C16H21NO5 — CID 18075577

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NC2CCCCC2)c1O
InChIInChI=1S/C16H21NO5/c1-21-13-9-5-8-12(15(13)19)16(20)22-10-14(18)17-11-6-3-2-4-7-11/h5,8-9,11,19H,2-4,6-7,10H2,1H3,(H,17,18)
InChIKeyBIABHEWDZIDHOW-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.01
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (PubChem CID 18075577) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
PubChem CID18075577
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NC2CCCCC2)c1O
InChIInChI=1S/C16H21NO5/c1-21-13-9-5-8-12(15(13)19)16(20)22-10-14(18)17-11-6-3-2-4-7-11/h5,8-9,11,19H,2-4,6-7,10H2,1H3,(H,17,18)
InChIKeyBIABHEWDZIDHOW-UHFFFAOYSA-N
XLogP2.01
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 29182445
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18289518
N-cyclohexyl-2-hydroxy-3-methoxybenzenecarbothioamide
CID 135715510
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (CID 18075577) is [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)NC2CCCCC2)c1O.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is BIABHEWDZIDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-13-9-5-8-12(15(13)19)16(20)22-10-14(18)17-11-6-3-2-4-7-11/h5,8-9,11,19H,2-4,6-7,10H2,1H3,(H,17,18).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 307.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).