2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide

C16H24N2O3 — CID 43278513

IUPAC2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(16(19)17-8-9-20-2)21-15-5-3-4-13(10-15)11-18-14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyIREWTGCBUZYLIV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.47
Rot. Bonds9

About 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide

2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 43278513) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID43278513
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(16(19)17-8-9-20-2)21-15-5-3-4-13(10-15)11-18-14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyIREWTGCBUZYLIV-UHFFFAOYSA-N
XLogP1.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.47
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

2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
CID 43277091
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737835
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737838
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide (CID 43278513) is 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cccc(CNC2CC2)c1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is IREWTGCBUZYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(16(19)17-8-9-20-2)21-15-5-3-4-13(10-15)11-18-14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide?
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43278513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).