3-[[3-(methoxymethyl)phenyl]methylamino]propanamide

C12H18N2O2 — CID 60970958

IUPAC3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
SMILESCOCc1cccc(CNCCC(N)=O)c1
InChIInChI=1S/C12H18N2O2/c1-16-9-11-4-2-3-10(7-11)8-14-6-5-12(13)15/h2-4,7,14H,5-6,8-9H2,1H3,(H2,13,15)
InChIKeyBGSHIGKEDLCOSA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds7

About 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide

3-[[3-(methoxymethyl)phenyl]methylamino]propanamide (PubChem CID 60970958) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
PubChem CID60970958
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
SMILESCOCc1cccc(CNCCC(N)=O)c1
InChIInChI=1S/C12H18N2O2/c1-16-9-11-4-2-3-10(7-11)8-14-6-5-12(13)15/h2-4,7,14H,5-6,8-9H2,1H3,(H2,13,15)
InChIKeyBGSHIGKEDLCOSA-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
CID 54896362
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N-[[3-(methoxymethyl)phenyl]methyl]-2-methylsulfinylethanamine
CID 115654099
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
The IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide (CID 60970958) is 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
The canonical SMILES for 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide is COCc1cccc(CNCCC(N)=O)c1.
What is the InChIKey of 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
The InChIKey is BGSHIGKEDLCOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-9-11-4-2-3-10(7-11)8-14-6-5-12(13)15/h2-4,7,14H,5-6,8-9H2,1H3,(H2,13,15).
What are the key properties of 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 60970958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).