4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide

C24H33N3O2 — CID 18089028

IUPAC4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-16(2)22(17-7-11-19(12-8-17)24(3,4)5)26-15-21(28)27-20-13-9-18(10-14-20)23(29)25-6/h7-14,16,22,26H,15H2,1-6H3,(H,25,29)(H,27,28)
InChIKeyKVWYKWIYBUCJCT-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.27
Rot. Bonds7

About 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide

4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide (PubChem CID 18089028) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
PubChem CID18089028
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-16(2)22(17-7-11-19(12-8-17)24(3,4)5)26-15-21(28)27-20-13-9-18(10-14-20)23(29)25-6/h7-14,16,22,26H,15H2,1-6H3,(H,25,29)(H,27,28)
InChIKeyKVWYKWIYBUCJCT-UHFFFAOYSA-N
XLogP4.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
CID 9132978
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 18089009
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 18289341
N-(5-acetamido-2-methoxyphenyl)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetamide
CID 9129845
4-[[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8992485
4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8834378
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide (CID 18089028) is 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)cc1.
What is the InChIKey of 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide?
The InChIKey is KVWYKWIYBUCJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16(2)22(17-7-11-19(12-8-17)24(3,4)5)26-15-21(28)27-20-13-9-18(10-14-20)23(29)25-6/h7-14,16,22,26H,15H2,1-6H3,(H,25,29)(H,27,28).
What are the key properties of 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide?
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide has a molecular weight of 395.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 18089028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).