N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide

C23H30N2O3 — CID 132657473

IUPACN-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(CC)Oc1cc(C)cc(C)c1
InChIInChI=1S/C23H30N2O3/c1-6-17(5)24-22(26)19-10-8-9-11-20(19)25-23(27)21(7-2)28-18-13-15(3)12-16(4)14-18/h8-14,17,21H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyDCDKBQGELZNOLN-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.63
Rot. Bonds8

About N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide

N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide (PubChem CID 132657473) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
PubChem CID132657473
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C(CC)Oc1cc(C)cc(C)c1
InChIInChI=1S/C23H30N2O3/c1-6-17(5)24-22(26)19-10-8-9-11-20(19)25-23(27)21(7-2)28-18-13-15(3)12-16(4)14-18/h8-14,17,21H,6-7H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyDCDKBQGELZNOLN-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
CID 46772085
N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657650
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
ethyl 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 42083002
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 26074772
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide
CID 4928581

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide (CID 132657473) is N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)C(CC)Oc1cc(C)cc(C)c1.
What is the InChIKey of N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
The InChIKey is DCDKBQGELZNOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-17(5)24-22(26)19-10-8-9-11-20(19)25-23(27)21(7-2)28-18-13-15(3)12-16(4)14-18/h8-14,17,21H,6-7H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 132657473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).