(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide

C28H38N2O3 — CID 100520633

IUPAC(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C28H38N2O3/c1-20-17-21(2)22(3)26(18-20)33-19-27(31)30(16-15-24-11-7-5-8-12-24)23(4)28(32)29-25-13-9-6-10-14-25/h5,7-8,11-12,17-18,23,25H,6,9-10,13-16,19H2,1-4H3,(H,29,32)/t23-/m1/s1
InChIKeyPSJDWFAJRMOKGP-HSZRJFAPSA-N
MW450.62 g/mol
LogP4.90
Rot. Bonds9

About (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide

(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide (PubChem CID 100520633) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
PubChem CID100520633
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C28H38N2O3/c1-20-17-21(2)22(3)26(18-20)33-19-27(31)30(16-15-24-11-7-5-8-12-24)23(4)28(32)29-25-13-9-6-10-14-25/h5,7-8,11-12,17-18,23,25H,6,9-10,13-16,19H2,1-4H3,(H,29,32)/t23-/m1/s1
InChIKeyPSJDWFAJRMOKGP-HSZRJFAPSA-N
XLogP4.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide with MolForge

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Related Compounds

N-cyclopentyl-2-[[2-(2-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132985880
N-ethyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132660529
N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132710026
(2R)-N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100521715
2-[benzyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 132612854
N-cyclopentyl-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132611360
(2R)-2-[(4-bromophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569833
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132613159
(2S)-2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100520276
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132620435
(2R)-2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100520367
(2S)-2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100520359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide (CID 100520633) is (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide is Cc1cc(C)c(C)c(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
The InChIKey is PSJDWFAJRMOKGP-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-20-17-21(2)22(3)26(18-20)33-19-27(31)30(16-15-24-11-7-5-8-12-24)23(4)28(32)29-25-13-9-6-10-14-25/h5,7-8,11-12,17-18,23,25H,6,9-10,13-16,19H2,1-4H3,(H,29,32)/t23-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide has a molecular weight of 450.62 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 100520633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).