4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide

C18H28N2O2 — CID 119536052

IUPAC4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-14(2)9-12-22-17-5-3-16(4-6-17)18(21)20-11-8-15-7-10-19-13-15/h3-6,14-15,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyXHGSPPNKFFVSIA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.84
Rot. Bonds8

About 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide

4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119536052) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119536052
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-14(2)9-12-22-17-5-3-16(4-6-17)18(21)20-11-8-15-7-10-19-13-15/h3-6,14-15,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyXHGSPPNKFFVSIA-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238
4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537467
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535038
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119536052) is 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide is CC(C)CCOc1ccc(C(=O)NCCC2CCNC2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is XHGSPPNKFFVSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)9-12-22-17-5-3-16(4-6-17)18(21)20-11-8-15-7-10-19-13-15/h3-6,14-15,19H,7-13H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119536052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).