2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide

C14H20N2O2 — CID 55131413

IUPAC2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1cccc(CNC2CC2)c1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-2-13(14(15)17)18-12-5-3-4-10(8-12)9-16-11-6-7-11/h3-5,8,11,13,16H,2,6-7,9H2,1H3,(H2,15,17)
InChIKeyJWRUIAGXEMXYJJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds7

About 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide

2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide (PubChem CID 55131413) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
PubChem CID55131413
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1cccc(CNC2CC2)c1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-2-13(14(15)17)18-12-5-3-4-10(8-12)9-16-11-6-7-11/h3-5,8,11,13,16H,2,6-7,9H2,1H3,(H2,15,17)
InChIKeyJWRUIAGXEMXYJJ-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
2-[3-(aminomethyl)phenoxy]butanamide
CID 55210264
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
2-(3-aminophenoxy)butanamide
CID 62901524
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 43278513
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
4-[3-[(cyclopropylamino)methyl]phenoxy]aniline
CID 116996638
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide (CID 55131413) is 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide is CCC(Oc1cccc(CNC2CC2)c1)C(N)=O.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide?
The InChIKey is JWRUIAGXEMXYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13(14(15)17)18-12-5-3-4-10(8-12)9-16-11-6-7-11/h3-5,8,11,13,16H,2,6-7,9H2,1H3,(H2,15,17).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide?
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 55131413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).