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

C17H27N3O2 — CID 119829586

IUPAC4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCN)N2CCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-22-15-8-6-14(7-9-15)16(20-11-2-3-12-20)13-19-17(21)5-4-10-18/h6-9,16H,2-5,10-13,18H2,1H3,(H,19,21)
InChIKeyPUFFDJUWXMYBNW-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.69
Rot. Bonds8

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

4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 119829586) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID119829586
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCN)N2CCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-22-15-8-6-14(7-9-15)16(20-11-2-3-12-20)13-19-17(21)5-4-10-18/h6-9,16H,2-5,10-13,18H2,1H3,(H,19,21)
InChIKeyPUFFDJUWXMYBNW-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 112505226
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55329042
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide (CID 119829586) is 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide is COc1ccc(C(CNC(=O)CCCN)N2CCCC2)cc1.
What is the InChIKey of 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is PUFFDJUWXMYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-22-15-8-6-14(7-9-15)16(20-11-2-3-12-20)13-19-17(21)5-4-10-18/h6-9,16H,2-5,10-13,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 119829586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).