N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide

C28H32N4O3 — CID 54842043

IUPACN-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C28H32N4O3/c1-28(2,3)31-26(34)21-13-15-23(16-14-21)30-25(33)18-29-24-12-8-11-22(17-24)27(35)32(4)19-20-9-6-5-7-10-20/h5-17,29H,18-19H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyPJAAADVBBLORDM-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.54
Rot. Bonds8

About N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide

N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54842043) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54842043
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C28H32N4O3/c1-28(2,3)31-26(34)21-13-15-23(16-14-21)30-25(33)18-29-24-12-8-11-22(17-24)27(35)32(4)19-20-9-6-5-7-10-20/h5-17,29H,18-19H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyPJAAADVBBLORDM-UHFFFAOYSA-N
XLogP4.54
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
methyl 4-[[2-[3-[benzyl(methyl)carbamoyl]anilino]acetyl]amino]benzoate
CID 54842086
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54841824
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842111
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide (CID 54842043) is N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is PJAAADVBBLORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-28(2,3)31-26(34)21-13-15-23(16-14-21)30-25(33)18-29-24-12-8-11-22(17-24)27(35)32(4)19-20-9-6-5-7-10-20/h5-17,29H,18-19H2,1-4H3,(H,30,33)(H,31,34).
What are the key properties of N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide?
N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54842043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).