N-(5-methylhexyl)-4-(propylamino)benzamide

C17H28N2O — CID 115327309

IUPACN-(5-methylhexyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCCCC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-12-18-16-10-8-15(9-11-16)17(20)19-13-6-5-7-14(2)3/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyMRXRLOHWWVIEEH-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.06
Rot. Bonds9

About N-(5-methylhexyl)-4-(propylamino)benzamide

N-(5-methylhexyl)-4-(propylamino)benzamide (PubChem CID 115327309) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(5-methylhexyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(5-methylhexyl)-4-(propylamino)benzamide
PubChem CID115327309
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(5-methylhexyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCCCC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-4-12-18-16-10-8-15(9-11-16)17(20)19-13-6-5-7-14(2)3/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyMRXRLOHWWVIEEH-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-(propylamino)benzamide
CID 62185567
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
4-(12-methyltridecylamino)benzoic acid
CID 21057297
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058
4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
CID 171640058
N-[5-[[5-(methylamino)-6-oxoheptanoyl]amino]-6-methyliminoheptyl]-4-(propylamino)benzamide
CID 91547578
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 143937289

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-4-(propylamino)benzamide?
The IUPAC name of N-(5-methylhexyl)-4-(propylamino)benzamide (CID 115327309) is N-(5-methylhexyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(5-methylhexyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(5-methylhexyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCCCCC(C)C)cc1.
What is the InChIKey of N-(5-methylhexyl)-4-(propylamino)benzamide?
The InChIKey is MRXRLOHWWVIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-12-18-16-10-8-15(9-11-16)17(20)19-13-6-5-7-14(2)3/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-(5-methylhexyl)-4-(propylamino)benzamide?
N-(5-methylhexyl)-4-(propylamino)benzamide has a molecular weight of 276.42 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-4-(propylamino)benzamide is sourced from PubChem (CID 115327309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).