[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate

C17H23NO4 — CID 2376879

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-21-15-10-8-13(9-11-15)17(20)22-12-16(19)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,19)
InChIKeyUDDQYUDWPWYGMQ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.69
Rot. Bonds5

About [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate

[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate (PubChem CID 2376879) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
PubChem CID2376879
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-21-15-10-8-13(9-11-15)17(20)22-12-16(19)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,19)
InChIKeyUDDQYUDWPWYGMQ-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680572
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81095131
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935
[2-(cycloheptylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2351080
[2-(cycloheptylamino)-2-oxoethyl] 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 41175982
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
[2-(cyclohexylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744492

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate (CID 2376879) is [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is UDDQYUDWPWYGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-21-15-10-8-13(9-11-15)17(20)22-12-16(19)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,19).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate?
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 305.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 2376879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).