N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide

C15H24N2O3 — CID 82364748

IUPACN-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
SMILESCCCOc1ccc(CNCCNC(C)=O)cc1OC
InChIInChI=1S/C15H24N2O3/c1-4-9-20-14-6-5-13(10-15(14)19-3)11-16-7-8-17-12(2)18/h5-6,10,16H,4,7-9,11H2,1-3H3,(H,17,18)
InChIKeyBPXSTDYDYJQRKO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds9

About N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide

N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide (PubChem CID 82364748) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
PubChem CID82364748
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
SMILESCCCOc1ccc(CNCCNC(C)=O)cc1OC
InChIInChI=1S/C15H24N2O3/c1-4-9-20-14-6-5-13(10-15(14)19-3)11-16-7-8-17-12(2)18/h5-6,10,16H,4,7-9,11H2,1-3H3,(H,17,18)
InChIKeyBPXSTDYDYJQRKO-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide 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

2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide (CID 82364748) is N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide is CCCOc1ccc(CNCCNC(C)=O)cc1OC.
What is the InChIKey of N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide?
The InChIKey is BPXSTDYDYJQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-9-20-14-6-5-13(10-15(14)19-3)11-16-7-8-17-12(2)18/h5-6,10,16H,4,7-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide?
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 82364748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).