N-butyl-3-(heptanoylamino)benzamide

C18H28N2O2 — CID 54789148

IUPACN-butyl-3-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1cccc(C(=O)NCCCC)c1
InChIInChI=1S/C18H28N2O2/c1-3-5-7-8-12-17(21)20-16-11-9-10-15(14-16)18(22)19-13-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMFTLMNFGMJQZMI-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.13
Rot. Bonds10

About N-butyl-3-(heptanoylamino)benzamide

N-butyl-3-(heptanoylamino)benzamide (PubChem CID 54789148) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-butyl-3-(heptanoylamino)benzamide.

Molecular Properties

Compound NameN-butyl-3-(heptanoylamino)benzamide
PubChem CID54789148
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-butyl-3-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1cccc(C(=O)NCCCC)c1
InChIInChI=1S/C18H28N2O2/c1-3-5-7-8-12-17(21)20-16-11-9-10-15(14-16)18(22)19-13-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMFTLMNFGMJQZMI-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.13
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

3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
CID 17219031
N-butyl-3-(octanoylcarbamothioylamino)benzamide
CID 17197277
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
3-(heptanoylamino)benzamide
CID 54789184
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[3-(3-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795602
methyl 3-(decanoylamino)benzoate
CID 142485980
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(heptanoylamino)benzamide?
The IUPAC name of N-butyl-3-(heptanoylamino)benzamide (CID 54789148) is N-butyl-3-(heptanoylamino)benzamide.
What is the SMILES notation for N-butyl-3-(heptanoylamino)benzamide?
The canonical SMILES for N-butyl-3-(heptanoylamino)benzamide is CCCCCCC(=O)Nc1cccc(C(=O)NCCCC)c1.
What is the InChIKey of N-butyl-3-(heptanoylamino)benzamide?
The InChIKey is MFTLMNFGMJQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-5-7-8-12-17(21)20-16-11-9-10-15(14-16)18(22)19-13-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-butyl-3-(heptanoylamino)benzamide?
N-butyl-3-(heptanoylamino)benzamide has a molecular weight of 304.43 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(heptanoylamino)benzamide is sourced from PubChem (CID 54789148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).