N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide

C17H27N3O2 — CID 119870925

IUPACN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CCN(c2ccccc2OC)C1
InChIInChI=1S/C17H27N3O2/c1-18-10-5-8-17(21)19-12-14-9-11-20(13-14)15-6-3-4-7-16(15)22-2/h3-4,6-7,14,18H,5,8-13H2,1-2H3,(H,19,21)
InChIKeyZHCRNUYODTUWTJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.64
Rot. Bonds8

About N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide (PubChem CID 119870925) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
PubChem CID119870925
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CCN(c2ccccc2OC)C1
InChIInChI=1S/C17H27N3O2/c1-18-10-5-8-17(21)19-12-14-9-11-20(13-14)15-6-3-4-7-16(15)22-2/h3-4,6-7,14,18H,5,8-13H2,1-2H3,(H,19,21)
InChIKeyZHCRNUYODTUWTJ-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]heptanamide
CID 119870913
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
3-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953556
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120596259
cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 125135335
1-heptan-2-yl-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 60614251
2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 124573955
(1S,2R,4S)-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98731066

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide (CID 119870925) is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC1CCN(c2ccccc2OC)C1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide?
The InChIKey is ZHCRNUYODTUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18-10-5-8-17(21)19-12-14-9-11-20(13-14)15-6-3-4-7-16(15)22-2/h3-4,6-7,14,18H,5,8-13H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide?
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide has a molecular weight of 305.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119870925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).