N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide

C21H30N2O3 — CID 167803950

IUPACN-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide
SMILESCC1(C)CC(O)=CC(NC(=O)CCCCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C21H30N2O3/c1-21(2)14-17(13-18(24)15-21)23-19(25)11-7-4-8-12-22-20(26)16-9-5-3-6-10-16/h3,5-6,9-10,13,17,24H,4,7-8,11-12,14-15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyORDLXCMQRWUOJE-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.72
Rot. Bonds8

About N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide

N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide (PubChem CID 167803950) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide
PubChem CID167803950
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide
SMILESCC1(C)CC(O)=CC(NC(=O)CCCCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C21H30N2O3/c1-21(2)14-17(13-18(24)15-21)23-19(25)11-7-4-8-12-22-20(26)16-9-5-3-6-10-16/h3,5-6,9-10,13,17,24H,4,7-8,11-12,14-15H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyORDLXCMQRWUOJE-UHFFFAOYSA-N
XLogP3.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[4-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-4-oxobutyl]benzamide
CID 111661232
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
trimethylsilyl 10-benzamidodecanoate
CID 10808726
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide (CID 167803950) is N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide is CC1(C)CC(O)=CC(NC(=O)CCCCCNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide?
The InChIKey is ORDLXCMQRWUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-21(2)14-17(13-18(24)15-21)23-19(25)11-7-4-8-12-22-20(26)16-9-5-3-6-10-16/h3,5-6,9-10,13,17,24H,4,7-8,11-12,14-15H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide?
N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide has a molecular weight of 358.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-hydroxy-5,5-dimethylcyclohex-2-en-1-yl)amino]-6-oxohexyl]benzamide is sourced from PubChem (CID 167803950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).