3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide

C12H18N2O2 — CID 61004060

IUPAC3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
SMILESCOCc1cccc(CNC(=O)CCN)c1
InChIInChI=1S/C12H18N2O2/c1-16-9-11-4-2-3-10(7-11)8-14-12(15)5-6-13/h2-4,7H,5-6,8-9,13H2,1H3,(H,14,15)
InChIKeyQJDNZCFMMKWGEA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds6

About 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide

3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide (PubChem CID 61004060) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
PubChem CID61004060
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
SMILESCOCc1cccc(CNC(=O)CCN)c1
InChIInChI=1S/C12H18N2O2/c1-16-9-11-4-2-3-10(7-11)8-14-12(15)5-6-13/h2-4,7H,5-6,8-9,13H2,1H3,(H,14,15)
InChIKeyQJDNZCFMMKWGEA-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 82012253
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
3-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 119324497
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide (CID 61004060) is 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide is COCc1cccc(CNC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide?
The InChIKey is QJDNZCFMMKWGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-9-11-4-2-3-10(7-11)8-14-12(15)5-6-13/h2-4,7H,5-6,8-9,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide?
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 61004060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).