3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide

C20H24N2O2 — CID 86998008

IUPAC3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NC(c2ccccc2)C(C)C)ccc1C
InChIInChI=1S/C20H24N2O2/c1-13(2)19(16-8-6-5-7-9-16)22-20(24)17-11-10-14(3)18(12-17)21-15(4)23/h5-13,19H,1-4H3,(H,21,23)(H,22,24)
InChIKeyZKMSTMPYQRRQKM-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.08
Rot. Bonds5

About 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide

3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide (PubChem CID 86998008) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
PubChem CID86998008
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NC(c2ccccc2)C(C)C)ccc1C
InChIInChI=1S/C20H24N2O2/c1-13(2)19(16-8-6-5-7-9-16)22-20(24)17-11-10-14(3)18(12-17)21-15(4)23/h5-13,19H,1-4H3,(H,21,23)(H,22,24)
InChIKeyZKMSTMPYQRRQKM-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
(2S)-2-[(3-benzamido-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119360446
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
3-acetamido-4-methyl-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514812
3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514811
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
CID 87045343
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide (CID 86998008) is 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide is CC(=O)Nc1cc(C(=O)NC(c2ccccc2)C(C)C)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide?
The InChIKey is ZKMSTMPYQRRQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)19(16-8-6-5-7-9-16)22-20(24)17-11-10-14(3)18(12-17)21-15(4)23/h5-13,19H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide?
3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide is sourced from PubChem (CID 86998008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).