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

C17H27N3O2 — CID 119829578

IUPAC3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CC(C)N)N2CCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-13(18)11-17(21)19-12-16(20-9-3-4-10-20)14-5-7-15(22-2)8-6-14/h5-8,13,16H,3-4,9-12,18H2,1-2H3,(H,19,21)
InChIKeyRDBGMHPCIRPDSX-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.69
Rot. Bonds7

About 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide

3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 119829578) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID119829578
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CC(C)N)N2CCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-13(18)11-17(21)19-12-16(20-9-3-4-10-20)14-5-7-15(22-2)8-6-14/h5-8,13,16H,3-4,9-12,18H2,1-2H3,(H,19,21)
InChIKeyRDBGMHPCIRPDSX-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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]propanamide
CID 47101154
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
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
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
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 112789908
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide (CID 119829578) is 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide is COc1ccc(C(CNC(=O)CC(C)N)N2CCCC2)cc1.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is RDBGMHPCIRPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(18)11-17(21)19-12-16(20-9-3-4-10-20)14-5-7-15(22-2)8-6-14/h5-8,13,16H,3-4,9-12,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 119829578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).