N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide

C16H24N2O3 — CID 107687379

IUPACN-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2c(O)cccc2O)CC1
InChIInChI=1S/C16H24N2O3/c1-3-17-11-7-9-12(10-8-11)18(2)16(21)15-13(19)5-4-6-14(15)20/h4-6,11-12,17,19-20H,3,7-10H2,1-2H3
InChIKeyFNLSHIQUZWCHHC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.09
Rot. Bonds4

About N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide

N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide (PubChem CID 107687379) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
PubChem CID107687379
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2c(O)cccc2O)CC1
InChIInChI=1S/C16H24N2O3/c1-3-17-11-7-9-12(10-8-11)18(2)16(21)15-13(19)5-4-6-14(15)20/h4-6,11-12,17,19-20H,3,7-10H2,1-2H3
InChIKeyFNLSHIQUZWCHHC-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide (CID 107687379) is N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide is CCNC1CCC(N(C)C(=O)c2c(O)cccc2O)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide?
The InChIKey is FNLSHIQUZWCHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17-11-7-9-12(10-8-11)18(2)16(21)15-13(19)5-4-6-14(15)20/h4-6,11-12,17,19-20H,3,7-10H2,1-2H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide?
N-[4-(ethylamino)cyclohexyl]-2,6-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]-2,6-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107687379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).