4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide

C19H23N3O2 — CID 46511009

IUPAC4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide
SMILESCC(C)(C)c1ccccc1NCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)15-6-4-5-7-16(15)21-12-17(23)22-14-10-8-13(9-11-14)18(20)24/h4-11,21H,12H2,1-3H3,(H2,20,24)(H,22,23)
InChIKeyZVZMCGVTJUJZDG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.13
Rot. Bonds5

About 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide

4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide (PubChem CID 46511009) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide
PubChem CID46511009
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide
SMILESCC(C)(C)c1ccccc1NCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)15-6-4-5-7-16(15)21-12-17(23)22-14-10-8-13(9-11-14)18(20)24/h4-11,21H,12H2,1-3H3,(H2,20,24)(H,22,23)
InChIKeyZVZMCGVTJUJZDG-UHFFFAOYSA-N
XLogP3.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 46633439
2-(4-acetylanilino)-N-(2-tert-butylphenyl)acetamide
CID 30534468
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
4-[[2-[2-(2-oxopyrrolidin-1-yl)anilino]acetyl]amino]benzamide
CID 17497451
3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide (CID 46511009) is 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide is CC(C)(C)c1ccccc1NCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide?
The InChIKey is ZVZMCGVTJUJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,3)15-6-4-5-7-16(15)21-12-17(23)22-14-10-8-13(9-11-14)18(20)24/h4-11,21H,12H2,1-3H3,(H2,20,24)(H,22,23).
What are the key properties of 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide?
4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 46511009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).