4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide

C20H32N2O2 — CID 67991258

IUPAC4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
SMILESCCC(=O)NCCCCCCNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-4-19(23)21-13-7-5-6-8-14-22-20(24)18-11-9-17(10-12-18)15-16(2)3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRTNHNTGGYKHLNN-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.70
Rot. Bonds11

About 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide

4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide (PubChem CID 67991258) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
PubChem CID67991258
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
SMILESCCC(=O)NCCCCCCNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-4-19(23)21-13-7-5-6-8-14-22-20(24)18-11-9-17(10-12-18)15-16(2)3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRTNHNTGGYKHLNN-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.70
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-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
ethane;N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639538
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-pentyl-4-propylbenzamide
CID 70894308

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide (CID 67991258) is 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide is CCC(=O)NCCCCCCNC(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide?
The InChIKey is RTNHNTGGYKHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-19(23)21-13-7-5-6-8-14-22-20(24)18-11-9-17(10-12-18)15-16(2)3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide?
4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide has a molecular weight of 332.49 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide is sourced from PubChem (CID 67991258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).