N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide

C18H24N4O2 — CID 86791882

IUPACN-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Nc2cnn(C(C)(C)C)c2)c1
InChIInChI=1S/C18H24N4O2/c1-12(20-16-10-19-22(11-16)18(3,4)5)17(24)21-15-8-6-7-14(9-15)13(2)23/h6-12,20H,1-5H3,(H,21,24)
InChIKeyJNCFFBIOKAZYLV-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.28
Rot. Bonds5

About N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide

N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide (PubChem CID 86791882) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide
PubChem CID86791882
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Nc2cnn(C(C)(C)C)c2)c1
InChIInChI=1S/C18H24N4O2/c1-12(20-16-10-19-22(11-16)18(3,4)5)17(24)21-15-8-6-7-14(9-15)13(2)23/h6-12,20H,1-5H3,(H,21,24)
InChIKeyJNCFFBIOKAZYLV-UHFFFAOYSA-N
XLogP3.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601
2-[(1-tert-butylpyrazol-4-yl)amino]-N-prop-2-ynylpropanamide
CID 86791856
N-(3-acetylphenyl)-2-(4-propylanilino)propanamide
CID 112768823
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 36770876
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
3-(2-acetamidopropanoylamino)benzoic acid
CID 43350881
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide (CID 86791882) is N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide is CC(=O)c1cccc(NC(=O)C(C)Nc2cnn(C(C)(C)C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide?
The InChIKey is JNCFFBIOKAZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(20-16-10-19-22(11-16)18(3,4)5)17(24)21-15-8-6-7-14(9-15)13(2)23/h6-12,20H,1-5H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide?
N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide has a molecular weight of 328.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 86791882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).