(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide

C18H28N2O3 — CID 7581934

IUPAC(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H28N2O3/c1-6-9-19-18(22)14(5)20-17(21)11-23-16-10-13(4)7-8-15(16)12(2)3/h7-8,10,12,14H,6,9,11H2,1-5H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyWLULSRAVMRHGHP-CQSZACIVSA-N
MW320.43 g/mol
LogP2.53
Rot. Bonds8

About (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide

(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 7581934) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID7581934
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H28N2O3/c1-6-9-19-18(22)14(5)20-17(21)11-23-16-10-13(4)7-8-15(16)12(2)3/h7-8,10,12,14H,6,9,11H2,1-5H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyWLULSRAVMRHGHP-CQSZACIVSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 63651841
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
CID 8733702
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
CID 55584646

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide (CID 7581934) is (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is WLULSRAVMRHGHP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-9-19-18(22)14(5)20-17(21)11-23-16-10-13(4)7-8-15(16)12(2)3/h7-8,10,12,14H,6,9,11H2,1-5H3,(H,19,22)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide?
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 320.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 7581934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).