N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide

C15H22N2O4 — CID 107704978

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
SMILESNC1CCC(OCCNC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C15H22N2O4/c16-11-1-3-14(4-2-11)21-6-5-17-15(20)10-7-12(18)9-13(19)8-10/h7-9,11,14,18-19H,1-6,16H2,(H,17,20)
InChIKeyDWEKCTOHECXCDO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.11
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide

N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide (PubChem CID 107704978) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
PubChem CID107704978
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
SMILESNC1CCC(OCCNC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C15H22N2O4/c16-11-1-3-14(4-2-11)21-6-5-17-15(20)10-7-12(18)9-13(19)8-10/h7-9,11,14,18-19H,1-6,16H2,(H,17,20)
InChIKeyDWEKCTOHECXCDO-UHFFFAOYSA-N
XLogP1.11
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
CID 63869966
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
CID 55251521
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide (CID 107704978) is N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide is NC1CCC(OCCNC(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide?
The InChIKey is DWEKCTOHECXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c16-11-1-3-14(4-2-11)21-6-5-17-15(20)10-7-12(18)9-13(19)8-10/h7-9,11,14,18-19H,1-6,16H2,(H,17,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107704978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).