(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C22H28N2O3 — CID 97238931

IUPAC(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOC[C@H](N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1
InChIInChI=1S/C22H28N2O3/c1-15-9-12-20(27-3)18(13-15)24-22(25)21(17-7-5-4-6-8-17)23-19(14-26-2)16-10-11-16/h4-9,12-13,16,19,21,23H,10-11,14H2,1-3H3,(H,24,25)/t19-,21-/m0/s1
InChIKeyWMMLBNKOSFQWRJ-FPOVZHCZSA-N
MW368.48 g/mol
LogP3.70
Rot. Bonds9

About (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 97238931) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
PubChem CID97238931
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOC[C@H](N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1
InChIInChI=1S/C22H28N2O3/c1-15-9-12-20(27-3)18(13-15)24-22(25)21(17-7-5-4-6-8-17)23-19(14-26-2)16-10-11-16/h4-9,12-13,16,19,21,23H,10-11,14H2,1-3H3,(H,24,25)/t19-,21-/m0/s1
InChIKeyWMMLBNKOSFQWRJ-FPOVZHCZSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide with MolForge

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Related Compounds

(2R)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2434114
(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide
CID 9267285
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
4-[[[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]amino]methyl]benzoic acid
CID 40843286
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
(2R)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(thiophen-2-ylmethylamino)acetamide
CID 8512914
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide
CID 112797202
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
cis-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8019572
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 111332556
N-(2-methoxy-5-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-phenylacetamide
CID 3636513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 97238931) is (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is COC[C@H](N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1.
What is the InChIKey of (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The InChIKey is WMMLBNKOSFQWRJ-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-9-12-20(27-3)18(13-15)24-22(25)21(17-7-5-4-6-8-17)23-19(14-26-2)16-10-11-16/h4-9,12-13,16,19,21,23H,10-11,14H2,1-3H3,(H,24,25)/t19-,21-/m0/s1.
What are the key properties of (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 97238931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).