(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

C21H26ClNO2 — CID 99950551

IUPAC(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClNO2/c1-14-12-15(2)16(3)20(13-14)25-17(4)21(24)23-11-5-6-18-7-9-19(22)10-8-18/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,24)/t17-/m1/s1
InChIKeyRDICPRPOPJFPCR-QGZVFWFLSA-N
MW359.90 g/mol
LogP4.78
Rot. Bonds7

About (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 99950551) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID99950551
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClNO2/c1-14-12-15(2)16(3)20(13-14)25-17(4)21(24)23-11-5-6-18-7-9-19(22)10-8-18/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,24)/t17-/m1/s1
InChIKeyRDICPRPOPJFPCR-QGZVFWFLSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)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

(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133211038
N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43907336
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132655449
2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 133202318
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 99950551) is (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is RDICPRPOPJFPCR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-14-12-15(2)16(3)20(13-14)25-17(4)21(24)23-11-5-6-18-7-9-19(22)10-8-18/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 359.90 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 99950551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).