4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C21H27N3O3 — CID 54840638

IUPAC4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCCCCOc1ccccc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-5-14-27-19-9-7-6-8-18(19)23-20(25)15-22-17-12-10-16(11-13-17)21(26)24(2)3/h6-13,22H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyVKUGZBSUTFZEQH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds9

About 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 54840638) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID54840638
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCCCCOc1ccccc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-5-14-27-19-9-7-6-8-18(19)23-20(25)15-22-17-12-10-16(11-13-17)21(26)24(2)3/h6-13,22H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyVKUGZBSUTFZEQH-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54812902
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
N-(2-butoxyphenyl)propanamide
CID 15943029

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 54840638) is 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is CCCCOc1ccccc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is VKUGZBSUTFZEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-5-14-27-19-9-7-6-8-18(19)23-20(25)15-22-17-12-10-16(11-13-17)21(26)24(2)3/h6-13,22H,4-5,14-15H2,1-3H3,(H,23,25).
What are the key properties of 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54840638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).