[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium

C15H25N2O4+ — CID 8894865

IUPAC[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]CC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-19-8-4-7-16-11-15(18)17-10-12-5-6-13(20-2)14(9-12)21-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,17,18)/p+1
InChIKeyIRLCSBCVWZPPIX-UHFFFAOYSA-O
MW297.38 g/mol
LogP-0.08
Rot. Bonds10

About [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium (PubChem CID 8894865) has the molecular formula C15H25N2O4+ and a molecular weight of 297.38 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium
PubChem CID8894865
Molecular FormulaC15H25N2O4+
Molecular Weight297.38 g/mol
Exact Mass297.18
IUPAC Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]CC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-19-8-4-7-16-11-15(18)17-10-12-5-6-13(20-2)14(9-12)21-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,17,18)/p+1
InChIKeyIRLCSBCVWZPPIX-UHFFFAOYSA-O
XLogP-0.08
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.08
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-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide
CID 8890668
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769143
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium (CID 8894865) is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium is COCCC[NH2+]CC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium?
The InChIKey is IRLCSBCVWZPPIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O4/c1-19-8-4-7-16-11-15(18)17-10-12-5-6-13(20-2)14(9-12)21-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,17,18)/p+1.
What are the key properties of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium?
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium has a molecular weight of 297.38 g/mol, XLogP of -0.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium is sourced from PubChem (CID 8894865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).