(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide

C19H19N3O2 — CID 97228242

IUPAC(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide
SMILESC#Cc1cccc(NCC(=O)N[C@@H](C(=O)NC)c2ccccc2)c1
InChIInChI=1S/C19H19N3O2/c1-3-14-8-7-11-16(12-14)21-13-17(23)22-18(19(24)20-2)15-9-5-4-6-10-15/h1,4-12,18,21H,13H2,2H3,(H,20,24)(H,22,23)/t18-/m1/s1
InChIKeyTYLSPGAMWKOSTR-GOSISDBHSA-N
MW321.38 g/mol
LogP1.68
Rot. Bonds6

About (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 97228242) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID97228242
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide
SMILESC#Cc1cccc(NCC(=O)N[C@@H](C(=O)NC)c2ccccc2)c1
InChIInChI=1S/C19H19N3O2/c1-3-14-8-7-11-16(12-14)21-13-17(23)22-18(19(24)20-2)15-9-5-4-6-10-15/h1,4-12,18,21H,13H2,2H3,(H,20,24)(H,22,23)/t18-/m1/s1
InChIKeyTYLSPGAMWKOSTR-GOSISDBHSA-N
XLogP1.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47170584
2-amino-3-(3-ethynylanilino)propanoic acid
CID 103230642
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71848786
3-(3-ethynylanilino)-N-propan-2-ylpropanamide
CID 62624986
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
2-(3-ethynylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 31418252
N,N-diethyl-2-(3-ethynylanilino)acetamide
CID 28564060
3-(3-ethynylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643569
2-[(3-ethynylanilino)methyl]benzoic acid
CID 103230660
N-(3-ethynylphenyl)-2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]acetamide
CID 110948702
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 51966010

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide (CID 97228242) is (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide is C#Cc1cccc(NCC(=O)N[C@@H](C(=O)NC)c2ccccc2)c1.
What is the InChIKey of (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is TYLSPGAMWKOSTR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-14-8-7-11-16(12-14)21-13-17(23)22-18(19(24)20-2)15-9-5-4-6-10-15/h1,4-12,18,21H,13H2,2H3,(H,20,24)(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 321.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 97228242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).