(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide

C21H28N2O2 — CID 9267285

IUPAC(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide
SMILESCCC(C)(C)N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-6-21(3,4)23-19(16-10-8-7-9-11-16)20(24)22-17-14-15(2)12-13-18(17)25-5/h7-14,19,23H,6H2,1-5H3,(H,22,24)/t19-/m1/s1
InChIKeyKDJQXSULVABSQQ-LJQANCHMSA-N
MW340.47 g/mol
LogP4.46
Rot. Bonds7

About (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide

(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide (PubChem CID 9267285) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide
PubChem CID9267285
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide
SMILESCCC(C)(C)N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-6-21(3,4)23-19(16-10-8-7-9-11-16)20(24)22-17-14-15(2)12-13-18(17)25-5/h7-14,19,23H,6H2,1-5H3,(H,22,24)/t19-/m1/s1
InChIKeyKDJQXSULVABSQQ-LJQANCHMSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2434114
4-[[[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]amino]methyl]benzoic acid
CID 40843286
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
(2R)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(thiophen-2-ylmethylamino)acetamide
CID 8512914
(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 97238931
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 17440812
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8516586

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide (CID 9267285) is (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide is CCC(C)(C)N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1.
What is the InChIKey of (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide?
The InChIKey is KDJQXSULVABSQQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-6-21(3,4)23-19(16-10-8-7-9-11-16)20(24)22-17-14-15(2)12-13-18(17)25-5/h7-14,19,23H,6H2,1-5H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide?
(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide has a molecular weight of 340.47 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide is sourced from PubChem (CID 9267285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).