3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide

C20H25N3O2 — CID 120667141

IUPAC3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
SMILESCc1ccc(C(N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-13-8-10-14(11-9-13)17(21)19(25)22-16-7-5-6-15(12-16)18(24)23-20(2,3)4/h5-12,17H,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYDFUOFXJVWWDHE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.16
Rot. Bonds4

About 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide

3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide (PubChem CID 120667141) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
PubChem CID120667141
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
SMILESCc1ccc(C(N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-13-8-10-14(11-9-13)17(21)19(25)22-16-7-5-6-15(12-16)18(24)23-20(2,3)4/h5-12,17H,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYDFUOFXJVWWDHE-UHFFFAOYSA-N
XLogP3.16
TPSA84.22 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 ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
CID 119712954
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887304
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668464
2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 120669180
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 103869217

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide (CID 120667141) is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide is Cc1ccc(C(N)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide?
The InChIKey is YDFUOFXJVWWDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-8-10-14(11-9-13)17(21)19(25)22-16-7-5-6-15(12-16)18(24)23-20(2,3)4/h5-12,17H,21H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide?
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 120667141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).