2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide

C21H27ClN2O3 — CID 60517268

IUPAC2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N(C)CCCOc1cccc(Cl)c1
InChIInChI=1S/C21H27ClN2O3/c1-4-26-20-12-6-5-11-19(20)23-21(25)16(2)24(3)13-8-14-27-18-10-7-9-17(22)15-18/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,23,25)
InChIKeyVYLUIHROPBPYHM-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.47
Rot. Bonds10

About 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide

2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 60517268) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide
PubChem CID60517268
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N(C)CCCOc1cccc(Cl)c1
InChIInChI=1S/C21H27ClN2O3/c1-4-26-20-12-6-5-11-19(20)23-21(25)16(2)24(3)13-8-14-27-18-10-7-9-17(22)15-18/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,23,25)
InChIKeyVYLUIHROPBPYHM-UHFFFAOYSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide 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-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46444363
(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 40761080
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
2-[2-[[1-(2,5-dioctoxyanilino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N-(2,5-dioctoxyphenyl)propanamide
CID 132575165
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
CID 125167326
2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide
CID 55870003
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 1177379
2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 3670954

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide (CID 60517268) is 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)N(C)CCCOc1cccc(Cl)c1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is VYLUIHROPBPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-4-26-20-12-6-5-11-19(20)23-21(25)16(2)24(3)13-8-14-27-18-10-7-9-17(22)15-18/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide?
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 390.91 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 60517268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).