2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide

C22H28N2O3 — CID 55748966

IUPAC2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C22H28N2O3/c1-14(2)20(24-21(25)19-9-7-6-8-16(19)5)22(26)23-17-10-12-18(13-11-17)27-15(3)4/h6-15,20H,1-5H3,(H,23,26)(H,24,25)
InChIKeyZDMSHVKKANGTPU-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.18
Rot. Bonds7

About 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide

2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide (PubChem CID 55748966) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
PubChem CID55748966
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C22H28N2O3/c1-14(2)20(24-21(25)19-9-7-6-8-16(19)5)22(26)23-17-10-12-18(13-11-17)27-15(3)4/h6-15,20H,1-5H3,(H,23,26)(H,24,25)
InChIKeyZDMSHVKKANGTPU-UHFFFAOYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55658200
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51149888
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 26194169
N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 92664875
N-[1-(3-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46421831
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 9369295
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 7573360
3-[[(2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 40917495
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 2582323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide (CID 55748966) is 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide is Cc1ccccc1C(=O)NC(C(=O)Nc1ccc(OC(C)C)cc1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide?
The InChIKey is ZDMSHVKKANGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(2)20(24-21(25)19-9-7-6-8-16(19)5)22(26)23-17-10-12-18(13-11-17)27-15(3)4/h6-15,20H,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide is sourced from PubChem (CID 55748966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).