3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide

C16H24N2O3 — CID 131929851

IUPAC3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide
SMILESCCC(OC)C(=O)Nc1cc(C(=O)NC(C)C)ccc1C
InChIInChI=1S/C16H24N2O3/c1-6-14(21-5)16(20)18-13-9-12(8-7-11(13)4)15(19)17-10(2)3/h7-10,14H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyTZLKYYBKTHUJSP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds6

About 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide

3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide (PubChem CID 131929851) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide
PubChem CID131929851
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide
SMILESCCC(OC)C(=O)Nc1cc(C(=O)NC(C)C)ccc1C
InChIInChI=1S/C16H24N2O3/c1-6-14(21-5)16(20)18-13-9-12(8-7-11(13)4)15(19)17-10(2)3/h7-10,14H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyTZLKYYBKTHUJSP-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
CID 43711952
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
methyl 4-methyl-3-[2-(2-methylphenoxy)butanoylamino]benzoate
CID 43916305
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
methyl 3-[2-(4-tert-butylphenoxy)butanoylamino]-4-methylbenzoate
CID 132657766
1-(5-acetyl-2-methylphenyl)-3-butan-2-ylurea
CID 110612625
methyl 3-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide (CID 131929851) is 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide is CCC(OC)C(=O)Nc1cc(C(=O)NC(C)C)ccc1C.
What is the InChIKey of 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is TZLKYYBKTHUJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-14(21-5)16(20)18-13-9-12(8-7-11(13)4)15(19)17-10(2)3/h7-10,14H,6H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide?
3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxybutanoylamino)-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 131929851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).