3-(hexanoylamino)-N-(2-methoxyethyl)benzamide

C16H24N2O3 — CID 17219031

IUPAC3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
SMILESCCCCCC(=O)Nc1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-9-15(19)18-14-8-6-7-13(12-14)16(20)17-10-11-21-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKYPAARMSNZYTIY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.58
Rot. Bonds9

About 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide

3-(hexanoylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 17219031) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
PubChem CID17219031
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
SMILESCCCCCC(=O)Nc1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-9-15(19)18-14-8-6-7-13(12-14)16(20)17-10-11-21-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKYPAARMSNZYTIY-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hexanoylcarbamothioylamino)-N-(2-methoxyethyl)benzamide
CID 17219309
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
methyl 3-(decanoylamino)benzoate
CID 142485980
N-butyl-3-(octanoylcarbamothioylamino)benzamide
CID 17197277
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
CID 54829274
3-(heptanoylamino)benzamide
CID 54789184
3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54795721

Frequently Asked Questions

What is the IUPAC name of 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide (CID 17219031) is 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide is CCCCCC(=O)Nc1cccc(C(=O)NCCOC)c1.
What is the InChIKey of 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is KYPAARMSNZYTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-9-15(19)18-14-8-6-7-13(12-14)16(20)17-10-11-21-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide?
3-(hexanoylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexanoylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17219031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).