N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

C23H30N2O3 — CID 100559135

IUPACN-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-5-6-13-24-23(27)19-9-7-8-10-20(19)25-22(26)15-28-21-14-17(4)11-12-18(21)16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyHNSOMPGJGFDYTO-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.67
Rot. Bonds9

About N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide

N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (PubChem CID 100559135) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
PubChem CID100559135
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-5-6-13-24-23(27)19-9-7-8-10-20(19)25-22(26)15-28-21-14-17(4)11-12-18(21)16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyHNSOMPGJGFDYTO-UHFFFAOYSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.67
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-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17189631
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
methyl 2-hydroxy-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 56577461
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide (CID 100559135) is N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
The InChIKey is HNSOMPGJGFDYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-6-13-24-23(27)19-9-7-8-10-20(19)25-22(26)15-28-21-14-17(4)11-12-18(21)16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide?
N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 100559135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).