N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide

C20H25N3O2 — CID 54810230

IUPACN-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C20H25N3O2/c1-14-7-5-9-16(11-14)21-13-18(24)22-17-10-6-8-15(12-17)19(25)23-20(2,3)4/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyILEXKBAIKUPDPC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.57
Rot. Bonds5

About N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide (PubChem CID 54810230) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
PubChem CID54810230
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C20H25N3O2/c1-14-7-5-9-16(11-14)21-13-18(24)22-17-10-6-8-15(12-17)19(25)23-20(2,3)4/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyILEXKBAIKUPDPC-UHFFFAOYSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
CID 54844517
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54844261
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide (CID 54810230) is N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide is Cc1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
The InChIKey is ILEXKBAIKUPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-7-5-9-16(11-14)21-13-18(24)22-17-10-6-8-15(12-17)19(25)23-20(2,3)4/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54810230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).