N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide

C16H24N2O3 — CID 63870129

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCOC2CCC(N)CC2)c1O
InChIInChI=1S/C16H24N2O3/c1-11-3-2-4-14(15(11)19)16(20)18-9-10-21-13-7-5-12(17)6-8-13/h2-4,12-13,19H,5-10,17H2,1H3,(H,18,20)
InChIKeyZAPKCCROZIYXEO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide (PubChem CID 63870129) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
PubChem CID63870129
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCOC2CCC(N)CC2)c1O
InChIInChI=1S/C16H24N2O3/c1-11-3-2-4-14(15(11)19)16(20)18-9-10-21-13-7-5-12(17)6-8-13/h2-4,12-13,19H,5-10,17H2,1H3,(H,18,20)
InChIKeyZAPKCCROZIYXEO-UHFFFAOYSA-N
XLogP1.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148439
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
CID 63869416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide (CID 63870129) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCCOC2CCC(N)CC2)c1O.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is ZAPKCCROZIYXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-3-2-4-14(15(11)19)16(20)18-9-10-21-13-7-5-12(17)6-8-13/h2-4,12-13,19H,5-10,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 63870129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).