N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide

C21H27N3O2 — CID 54842110

IUPACN-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCCCNC(=O)CNc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-3-4-13-22-20(25)15-23-19-12-8-11-18(14-19)21(26)24(2)16-17-9-6-5-7-10-17/h5-12,14,23H,3-4,13,15-16H2,1-2H3,(H,22,25)
InChIKeyQHHKTMDAOLCQQL-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.29
Rot. Bonds9

About N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide

N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54842110) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54842110
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCCCNC(=O)CNc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-3-4-13-22-20(25)15-23-19-12-8-11-18(14-19)21(26)24(2)16-17-9-6-5-7-10-17/h5-12,14,23H,3-4,13,15-16H2,1-2H3,(H,22,25)
InChIKeyQHHKTMDAOLCQQL-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[2-[3-(hexanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54841033
N-benzyl-3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842111
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
N-benzyl-3-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54841928
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
methyl 4-[[2-[3-[benzyl(methyl)carbamoyl]anilino]acetyl]amino]benzoate
CID 54842086
N-methyl-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]-N-phenylbenzamide
CID 54837353
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide (CID 54842110) is N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide is CCCCNC(=O)CNc1cccc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is QHHKTMDAOLCQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-4-13-22-20(25)15-23-19-12-8-11-18(14-19)21(26)24(2)16-17-9-6-5-7-10-17/h5-12,14,23H,3-4,13,15-16H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide?
N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54842110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).