4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide

C20H25N3O2 — CID 146621506

IUPAC4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(NC(C)(C)C)c(C)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-13-12-17(10-11-18(13)23-20(3,4)5)22-19(25)15-6-8-16(9-7-15)21-14(2)24/h6-12,23H,1-5H3,(H,21,24)(H,22,25)
InChIKeyXKXXOXPZXMQKJV-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.42
Rot. Bonds4

About 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide

4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide (PubChem CID 146621506) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide
PubChem CID146621506
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(NC(C)(C)C)c(C)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-13-12-17(10-11-18(13)23-20(3,4)5)22-19(25)15-6-8-16(9-7-15)21-14(2)24/h6-12,23H,1-5H3,(H,21,24)(H,22,25)
InChIKeyXKXXOXPZXMQKJV-UHFFFAOYSA-N
XLogP4.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
4-N-[3-methyl-4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-(1-methylpyridin-1-ium-4-yl)benzene-1,4-dicarboxamide
CID 174224437
4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide (CID 146621506) is 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(C)(C)C)c(C)c2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide?
The InChIKey is XKXXOXPZXMQKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-12-17(10-11-18(13)23-20(3,4)5)22-19(25)15-6-8-16(9-7-15)21-14(2)24/h6-12,23H,1-5H3,(H,21,24)(H,22,25).
What are the key properties of 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide?
4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(tert-butylamino)-3-methylphenyl]benzamide is sourced from PubChem (CID 146621506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).