3-benzamidobutyl benzoate

C18H19NO3 — CID 151154190

IUPAC3-benzamidobutyl benzoate
SMILESCC(CCOC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(19-17(20)15-8-4-2-5-9-15)12-13-22-18(21)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,20)
InChIKeyMYWISEWWHMINES-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.05
Rot. Bonds6

About 3-benzamidobutyl benzoate

3-benzamidobutyl benzoate (PubChem CID 151154190) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-benzamidobutyl benzoate.

Molecular Properties

Compound Name3-benzamidobutyl benzoate
PubChem CID151154190
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-benzamidobutyl benzoate
SMILESCC(CCOC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(19-17(20)15-8-4-2-5-9-15)12-13-22-18(21)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,20)
InChIKeyMYWISEWWHMINES-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)benzamide
CID 62087210
3-(benzoyloxycarbonylamino)butyl 4-ethylbenzoate
CID 175111457
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
N-(1-chloropropan-2-yl)benzamide
CID 3683093
azane;2-methoxyethyl benzoate
CID 174560204
methyl 3-benzamidobutanoate
CID 10857046
3-propan-2-yloxypentyl benzoate
CID 174507788
(5,5-difluoro-3-methylpentyl) benzoate
CID 132601505
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167

Frequently Asked Questions

What is the IUPAC name of 3-benzamidobutyl benzoate?
The IUPAC name of 3-benzamidobutyl benzoate (CID 151154190) is 3-benzamidobutyl benzoate.
What is the SMILES notation for 3-benzamidobutyl benzoate?
The canonical SMILES for 3-benzamidobutyl benzoate is CC(CCOC(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamidobutyl benzoate?
The InChIKey is MYWISEWWHMINES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(19-17(20)15-8-4-2-5-9-15)12-13-22-18(21)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,20).
What are the key properties of 3-benzamidobutyl benzoate?
3-benzamidobutyl benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamidobutyl benzoate is sourced from PubChem (CID 151154190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).