3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide

C16H24N2O2 — CID 51658006

IUPAC3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
SMILESCC[C@H](CNC(=O)c1cccc(OC)c1)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-3-14(18-9-4-5-10-18)12-17-16(19)13-7-6-8-15(11-13)20-2/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyQSJIEIRVDWNOLL-CQSZACIVSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds6

About 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide

3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide (PubChem CID 51658006) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
PubChem CID51658006
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
SMILESCC[C@H](CNC(=O)c1cccc(OC)c1)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-3-14(18-9-4-5-10-18)12-17-16(19)13-7-6-8-15(11-13)20-2/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyQSJIEIRVDWNOLL-CQSZACIVSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide
CID 110403480
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
3-iodo-N-[(2S)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658000
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
1-[(3-methoxyphenyl)methyl]-2-methyl-3-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111250626
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
CID 125171289
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide (CID 51658006) is 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide is CC[C@H](CNC(=O)c1cccc(OC)c1)N1CCCC1.
What is the InChIKey of 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide?
The InChIKey is QSJIEIRVDWNOLL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14(18-9-4-5-10-18)12-17-16(19)13-7-6-8-15(11-13)20-2/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide?
3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide is sourced from PubChem (CID 51658006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).