(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide

C28H38N2O3 — CID 100520603

IUPAC(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
SMILESCC(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C28H38N2O3/c1-21(2)24-14-16-26(17-15-24)33-20-27(31)30(19-18-23-10-6-4-7-11-23)22(3)28(32)29-25-12-8-5-9-13-25/h4,6-7,10-11,14-17,21-22,25H,5,8-9,12-13,18-20H2,1-3H3,(H,29,32)/t22-/m0/s1
InChIKeyMIELTOITLDFZIJ-QFIPXVFZSA-N
MW450.62 g/mol
LogP5.10
Rot. Bonds10

About (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide

(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide (PubChem CID 100520603) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
PubChem CID100520603
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
SMILESCC(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C28H38N2O3/c1-21(2)24-14-16-26(17-15-24)33-20-27(31)30(19-18-23-10-6-4-7-11-23)22(3)28(32)29-25-12-8-5-9-13-25/h4,6-7,10-11,14-17,21-22,25H,5,8-9,12-13,18-20H2,1-3H3,(H,29,32)/t22-/m0/s1
InChIKeyMIELTOITLDFZIJ-QFIPXVFZSA-N
XLogP5.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide with MolForge

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Related Compounds

(2S)-2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100520276
(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100534858
(2S)-2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100574876
N-cyclopentyl-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132611360
(2R)-N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100521715
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
N-cyclopentyl-2-[[2-(2-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132985880
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 133174742
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100558210
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132985498

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide (CID 100520603) is (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide is CC(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide?
The InChIKey is MIELTOITLDFZIJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-21(2)24-14-16-26(17-15-24)33-20-27(31)30(19-18-23-10-6-4-7-11-23)22(3)28(32)29-25-12-8-5-9-13-25/h4,6-7,10-11,14-17,21-22,25H,5,8-9,12-13,18-20H2,1-3H3,(H,29,32)/t22-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide?
(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide has a molecular weight of 450.62 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 100520603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).