(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide

C20H25ClN2O2 — CID 125167326

IUPAC(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)N(C)CCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN2O2/c1-15-6-4-7-18(14-15)22-20(24)16(2)23(3)12-5-13-25-19-10-8-17(21)9-11-19/h4,6-11,14,16H,5,12-13H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyMRPNNEBEJGQKJF-MRXNPFEDSA-N
MW360.89 g/mol
LogP4.38
Rot. Bonds8

About (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide

(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide (PubChem CID 125167326) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
PubChem CID125167326
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)N(C)CCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H25ClN2O2/c1-15-6-4-7-18(14-15)22-20(24)16(2)23(3)12-5-13-25-19-10-8-17(21)9-11-19/h4,6-11,14,16H,5,12-13H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyMRPNNEBEJGQKJF-MRXNPFEDSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)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-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444904
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 91836915
2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55680404
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide (CID 125167326) is (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)N(C)CCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide?
The InChIKey is MRPNNEBEJGQKJF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-15-6-4-7-18(14-15)22-20(24)16(2)23(3)12-5-13-25-19-10-8-17(21)9-11-19/h4,6-11,14,16H,5,12-13H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide?
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide has a molecular weight of 360.89 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 125167326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).