3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide

C16H24N2O2 — CID 119510808

IUPAC3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCC1CCCN1
InChIInChI=1S/C16H24N2O2/c1-12(14-7-3-4-8-15(14)20-2)10-16(19)18-11-13-6-5-9-17-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyVQNYBZUKHZIVIV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide

3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 119510808) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID119510808
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCC1CCCN1
InChIInChI=1S/C16H24N2O2/c1-12(14-7-3-4-8-15(14)20-2)10-16(19)18-11-13-6-5-9-17-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3,(H,18,19)
InChIKeyVQNYBZUKHZIVIV-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514786
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
N-[2-(2-methoxyphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804831
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637287
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119547903

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide (CID 119510808) is 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide is COc1ccccc1C(C)CC(=O)NCC1CCCN1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is VQNYBZUKHZIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(14-7-3-4-8-15(14)20-2)10-16(19)18-11-13-6-5-9-17-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 119510808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).