3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide

C21H26N2O3 — CID 43915005

IUPAC3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-5-15(2)26-19-8-6-7-17(14-19)21(25)22-18-11-9-16(10-12-18)13-20(24)23(3)4/h6-12,14-15H,5,13H2,1-4H3,(H,22,25)
InChIKeyASHYECRLNOSGAV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds7

About 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide

3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide (PubChem CID 43915005) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
PubChem CID43915005
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-5-15(2)26-19-8-6-7-17(14-19)21(25)22-18-11-9-16(10-12-18)13-20(24)23(3)4/h6-12,14-15H,5,13H2,1-4H3,(H,22,25)
InChIKeyASHYECRLNOSGAV-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17149776
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 17149762
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide (CID 43915005) is 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is ASHYECRLNOSGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-15(2)26-19-8-6-7-17(14-19)21(25)22-18-11-9-16(10-12-18)13-20(24)23(3)4/h6-12,14-15H,5,13H2,1-4H3,(H,22,25).
What are the key properties of 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide?
3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 43915005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).