(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide

C19H23N3O3 — CID 7590367

IUPAC(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](N[C@@H](C)c1ccccc1OC)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(15-11-7-8-12-16(15)25-3)21-17(14-9-5-4-6-10-14)18(23)22-19(24)20-2/h4-13,17,21H,1-3H3,(H2,20,22,23,24)/t13-,17-/m0/s1
InChIKeyJYFYDGPWQIYQKK-GUYCJALGSA-N
MW341.41 g/mol
LogP2.54
Rot. Bonds6

About (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 7590367) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID7590367
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](N[C@@H](C)c1ccccc1OC)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(15-11-7-8-12-16(15)25-3)21-17(14-9-5-4-6-10-14)18(23)22-19(24)20-2/h4-13,17,21H,1-3H3,(H2,20,22,23,24)/t13-,17-/m0/s1
InChIKeyJYFYDGPWQIYQKK-GUYCJALGSA-N
XLogP2.54
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 9356593
2-[2-(2-methoxyphenyl)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 17485051
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(2R)-2-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599176
(2R)-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599175
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537
(2S)-2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8891084
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-carbamoyl-2-phenylacetamide
CID 9001607
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 40690071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 7590367) is (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@@H](N[C@@H](C)c1ccccc1OC)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is JYFYDGPWQIYQKK-GUYCJALGSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(15-11-7-8-12-16(15)25-3)21-17(14-9-5-4-6-10-14)18(23)22-19(24)20-2/h4-13,17,21H,1-3H3,(H2,20,22,23,24)/t13-,17-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 341.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 7590367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).