N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide

C16H22N2O4 — CID 108538987

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H22N2O4/c19-13-8-12(9-14(20)10-13)16(22)18-7-6-17-15(21)11-4-2-1-3-5-11/h8-11,19-20H,1-7H2,(H,17,21)(H,18,22)
InChIKeyFMGMZCXKBYQXBP-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide (PubChem CID 108538987) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide
PubChem CID108538987
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H22N2O4/c19-13-8-12(9-14(20)10-13)16(22)18-7-6-17-15(21)11-4-2-1-3-5-11/h8-11,19-20H,1-7H2,(H,17,21)(H,18,22)
InChIKeyFMGMZCXKBYQXBP-UHFFFAOYSA-N
XLogP1.52
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide
CID 55959627
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591
N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
CID 115306498

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide (CID 108538987) is N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide is O=C(NCCNC(=O)C1CCCCC1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide?
The InChIKey is FMGMZCXKBYQXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-13-8-12(9-14(20)10-13)16(22)18-7-6-17-15(21)11-4-2-1-3-5-11/h8-11,19-20H,1-7H2,(H,17,21)(H,18,22).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide has a molecular weight of 306.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108538987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).