4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

C21H26N2O2 — CID 3584037

IUPAC4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-16(2)25-18-12-10-17(11-13-18)21(24)22-19-8-4-5-9-20(19)23-14-6-7-15-23/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyXHPSUQYESSBGRK-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.72
Rot. Bonds6

About 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 3584037) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID3584037
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-16(2)25-18-12-10-17(11-13-18)21(24)22-19-8-4-5-9-20(19)23-14-6-7-15-23/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,22,24)
InChIKeyXHPSUQYESSBGRK-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3795149
4-butan-2-yloxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3287448
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296
4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598
ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-butan-2-yloxybenzoyl)amino]benzoate
CID 43913840
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 3584037) is 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is XHPSUQYESSBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16(2)25-18-12-10-17(11-13-18)21(24)22-19-8-4-5-9-20(19)23-14-6-7-15-23/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,22,24).
What are the key properties of 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 3584037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).