4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide

C23H31N3O3 — CID 54832168

IUPAC4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCCCC)c2)cc1
InChIInChI=1S/C23H31N3O3/c1-3-5-14-24-23(28)18-10-12-19(13-11-18)25-17-22(27)26-20-8-7-9-21(16-20)29-15-6-4-2/h7-13,16,25H,3-6,14-15,17H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyMAVYIWUTBQFROM-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.45
Rot. Bonds12

About 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide

4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide (PubChem CID 54832168) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
PubChem CID54832168
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCCCC)c2)cc1
InChIInChI=1S/C23H31N3O3/c1-3-5-14-24-23(28)18-10-12-19(13-11-18)25-17-22(27)26-20-8-7-9-21(16-20)29-15-6-4-2/h7-13,16,25H,3-6,14-15,17H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyMAVYIWUTBQFROM-UHFFFAOYSA-N
XLogP4.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54832134
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812285
3-[[2-(4-heptoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54821404
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide?
The IUPAC name of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide (CID 54832168) is 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide.
What is the SMILES notation for 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide?
The canonical SMILES for 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCCCC)c2)cc1.
What is the InChIKey of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide?
The InChIKey is MAVYIWUTBQFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-5-14-24-23(28)18-10-12-19(13-11-18)25-17-22(27)26-20-8-7-9-21(16-20)29-15-6-4-2/h7-13,16,25H,3-6,14-15,17H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide?
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide has a molecular weight of 397.52 g/mol, XLogP of 4.45, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide is sourced from PubChem (CID 54832168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).