N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide

C16H24N2O3 — CID 107721216

IUPACN-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C16H24N2O3/c1-3-17-11-4-6-12(7-5-11)18(2)16(21)14-10-13(19)8-9-15(14)20/h8-12,17,19-20H,3-7H2,1-2H3
InChIKeyDFQGIDAHJQMPHU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.09
Rot. Bonds4

About N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide

N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide (PubChem CID 107721216) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
PubChem CID107721216
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C16H24N2O3/c1-3-17-11-4-6-12(7-5-11)18(2)16(21)14-10-13(19)8-9-15(14)20/h8-12,17,19-20H,3-7H2,1-2H3
InChIKeyDFQGIDAHJQMPHU-UHFFFAOYSA-N
XLogP2.09
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
CID 107687379
N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107725203
N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107012641
N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
CID 79119344
N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 79116508
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
N-[4-(ethylamino)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103115670
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
1-[4-(ethylamino)cyclohexyl]-1-methylurea
CID 79122178

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide (CID 107721216) is N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide is CCNC1CCC(N(C)C(=O)c2cc(O)ccc2O)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide?
The InChIKey is DFQGIDAHJQMPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17-11-4-6-12(7-5-11)18(2)16(21)14-10-13(19)8-9-15(14)20/h8-12,17,19-20H,3-7H2,1-2H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide?
N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107721216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).