[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

C17H23NO4 — CID 7541782

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)NC1CCCCCC1
InChIInChI=1S/C17H23NO4/c19-11-13-7-9-14(10-8-13)17(21)22-12-16(20)18-15-5-3-1-2-4-6-15/h7-10,15,19H,1-6,11-12H2,(H,18,20)
InChIKeyHRXKSWIWKSJRTN-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.17
Rot. Bonds5

About [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 7541782) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID7541782
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)NC1CCCCCC1
InChIInChI=1S/C17H23NO4/c19-11-13-7-9-14(10-8-13)17(21)22-12-16(20)18-15-5-3-1-2-4-6-15/h7-10,15,19H,1-6,11-12H2,(H,18,20)
InChIKeyHRXKSWIWKSJRTN-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7871822
[2-(cycloheptylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2351080
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
[2-(cyclohexylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744492
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55737534
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 11907720
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680572

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 7541782) is [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is O=C(COC(=O)c1ccc(CO)cc1)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is HRXKSWIWKSJRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-11-13-7-9-14(10-8-13)17(21)22-12-16(20)18-15-5-3-1-2-4-6-15/h7-10,15,19H,1-6,11-12H2,(H,18,20).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 305.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 7541782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).