3-(butanoylamino)-4-methoxybenzamide

C12H16N2O3 — CID 47243869

IUPAC3-(butanoylamino)-4-methoxybenzamide
SMILESCCCC(=O)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C12H16N2O3/c1-3-4-11(15)14-9-7-8(12(13)16)5-6-10(9)17-2/h5-7H,3-4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyKTNCDZMXSVYNJW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.53
Rot. Bonds5

About 3-(butanoylamino)-4-methoxybenzamide

3-(butanoylamino)-4-methoxybenzamide (PubChem CID 47243869) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(butanoylamino)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(butanoylamino)-4-methoxybenzamide
PubChem CID47243869
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(butanoylamino)-4-methoxybenzamide
SMILESCCCC(=O)Nc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C12H16N2O3/c1-3-4-11(15)14-9-7-8(12(13)16)5-6-10(9)17-2/h5-7H,3-4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyKTNCDZMXSVYNJW-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide
CID 110427164
3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
CID 55964273
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
CID 103831255
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-4-methoxybenzamide?
The IUPAC name of 3-(butanoylamino)-4-methoxybenzamide (CID 47243869) is 3-(butanoylamino)-4-methoxybenzamide.
What is the SMILES notation for 3-(butanoylamino)-4-methoxybenzamide?
The canonical SMILES for 3-(butanoylamino)-4-methoxybenzamide is CCCC(=O)Nc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 3-(butanoylamino)-4-methoxybenzamide?
The InChIKey is KTNCDZMXSVYNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-11(15)14-9-7-8(12(13)16)5-6-10(9)17-2/h5-7H,3-4H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 3-(butanoylamino)-4-methoxybenzamide?
3-(butanoylamino)-4-methoxybenzamide has a molecular weight of 236.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-4-methoxybenzamide is sourced from PubChem (CID 47243869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).