N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide

C15H23N3O2 — CID 103530969

IUPACN-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
SMILESCOC1CCN(CCCC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-9-18(11-14)8-3-6-15(19)17-13-5-2-4-12(16)10-13/h2,4-5,10,14H,3,6-9,11,16H2,1H3,(H,17,19)
InChIKeyBUJABHDEZHQYDC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds6

About N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide

N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide (PubChem CID 103530969) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
PubChem CID103530969
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
SMILESCOC1CCN(CCCC(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-9-18(11-14)8-3-6-15(19)17-13-5-2-4-12(16)10-13/h2,4-5,10,14H,3,6-9,11,16H2,1H3,(H,17,19)
InChIKeyBUJABHDEZHQYDC-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(3-carbamothioylphenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533707
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
N-(3-aminophenyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)butanamide
CID 62490976

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide (CID 103530969) is N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide is COC1CCN(CCCC(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
The InChIKey is BUJABHDEZHQYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-7-9-18(11-14)8-3-6-15(19)17-13-5-2-4-12(16)10-13/h2,4-5,10,14H,3,6-9,11,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide?
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide is sourced from PubChem (CID 103530969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).