N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide

C15H24N2O2 — CID 54871032

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C(C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-12(13-8-5-6-9-14(13)19-4)17(3)15(18)10-7-11-16-2/h5-6,8-9,12,16H,7,10-11H2,1-4H3
InChIKeyQFSHJBCOFMTAOA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 54871032) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
PubChem CID54871032
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C(C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-12(13-8-5-6-9-14(13)19-4)17(3)15(18)10-7-11-16-2/h5-6,8-9,12,16H,7,10-11H2,1-4H3
InChIKeyQFSHJBCOFMTAOA-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 134054698
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 46588371
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054649
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134054577
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347396
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide (CID 54871032) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)C(C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is QFSHJBCOFMTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(13-8-5-6-9-14(13)19-4)17(3)15(18)10-7-11-16-2/h5-6,8-9,12,16H,7,10-11H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 54871032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).