N-hexyl-4-(propanoylamino)benzamide

C16H24N2O2 — CID 17257310

IUPACN-hexyl-4-(propanoylamino)benzamide
SMILESCCCCCCNC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-5-6-7-12-17-16(20)13-8-10-14(11-9-13)18-15(19)4-2/h8-11H,3-7,12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKDUTUGPWTJXKIT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.35
Rot. Bonds8

About N-hexyl-4-(propanoylamino)benzamide

N-hexyl-4-(propanoylamino)benzamide (PubChem CID 17257310) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-hexyl-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-hexyl-4-(propanoylamino)benzamide
PubChem CID17257310
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-hexyl-4-(propanoylamino)benzamide
SMILESCCCCCCNC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-5-6-7-12-17-16(20)13-8-10-14(11-9-13)18-15(19)4-2/h8-11H,3-7,12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKDUTUGPWTJXKIT-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.35
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

4-(butanoylamino)-N-hexylbenzamide
CID 3934901
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
N-pentyl-4-(propylamino)benzamide
CID 62185567
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(propanoylamino)benzamide?
The IUPAC name of N-hexyl-4-(propanoylamino)benzamide (CID 17257310) is N-hexyl-4-(propanoylamino)benzamide.
What is the SMILES notation for N-hexyl-4-(propanoylamino)benzamide?
The canonical SMILES for N-hexyl-4-(propanoylamino)benzamide is CCCCCCNC(=O)c1ccc(NC(=O)CC)cc1.
What is the InChIKey of N-hexyl-4-(propanoylamino)benzamide?
The InChIKey is KDUTUGPWTJXKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-6-7-12-17-16(20)13-8-10-14(11-9-13)18-15(19)4-2/h8-11H,3-7,12H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-hexyl-4-(propanoylamino)benzamide?
N-hexyl-4-(propanoylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(propanoylamino)benzamide is sourced from PubChem (CID 17257310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).