N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide

C17H26N2O2 — CID 79116898

IUPACN-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1O)C1CCC(N)CC1
InChIInChI=1S/C17H26N2O2/c1-3-10-19(14-7-5-13(18)6-8-14)17(21)15-11-12(2)4-9-16(15)20/h4,9,11,13-14,20H,3,5-8,10,18H2,1-2H3
InChIKeyZVJKXORKZUWCAO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.82
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide

N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide (PubChem CID 79116898) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
PubChem CID79116898
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1O)C1CCC(N)CC1
InChIInChI=1S/C17H26N2O2/c1-3-10-19(14-7-5-13(18)6-8-14)17(21)15-11-12(2)4-9-16(15)20/h4,9,11,13-14,20H,3,5-8,10,18H2,1-2H3
InChIKeyZVJKXORKZUWCAO-UHFFFAOYSA-N
XLogP2.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide (CID 79116898) is N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide is CCCN(C(=O)c1cc(C)ccc1O)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide?
The InChIKey is ZVJKXORKZUWCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-19(14-7-5-13(18)6-8-14)17(21)15-11-12(2)4-9-16(15)20/h4,9,11,13-14,20H,3,5-8,10,18H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide?
N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide is sourced from PubChem (CID 79116898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).