N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C16H24N2O2 — CID 47101154

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCCC(=O)NCC(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-3-16(19)17-12-15(18-10-4-5-11-18)13-6-8-14(20-2)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyVAKPMQOHMZQITF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 47101154) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID47101154
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCCC(=O)NCC(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-3-16(19)17-12-15(18-10-4-5-11-18)13-6-8-14(20-2)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyVAKPMQOHMZQITF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 42920128
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 47101154) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is CCC(=O)NCC(c1ccc(OC)cc1)N1CCCC1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is VAKPMQOHMZQITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(19)17-12-15(18-10-4-5-11-18)13-6-8-14(20-2)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 47101154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).