(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide

C16H16N2O2 — CID 35626827

IUPAC(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide
SMILESNC(=O)[C@H](Nc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C16H16N2O2/c17-16(19)15(11-4-2-1-3-5-11)18-13-6-7-14-12(10-13)8-9-20-14/h1-7,10,15,18H,8-9H2,(H2,17,19)/t15-/m1/s1
InChIKeyLMJZZUGNQCQOGL-OAHLLOKOSA-N
MW268.32 g/mol
LogP2.26
Rot. Bonds4

About (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide

(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide (PubChem CID 35626827) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide
PubChem CID35626827
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide
SMILESNC(=O)[C@H](Nc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C16H16N2O2/c17-16(19)15(11-4-2-1-3-5-11)18-13-6-7-14-12(10-13)8-9-20-14/h1-7,10,15,18H,8-9H2,(H2,17,19)/t15-/m1/s1
InChIKeyLMJZZUGNQCQOGL-OAHLLOKOSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 60995769
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 61005480
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62879061
N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 61313159
(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide
CID 35644639
2-anilino-2-phenylacetamide;ethane
CID 142824395
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
CID 78807692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide?
The IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide (CID 35626827) is (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide is NC(=O)[C@H](Nc1ccc2c(c1)CCO2)c1ccccc1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide?
The InChIKey is LMJZZUGNQCQOGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-16(19)15(11-4-2-1-3-5-11)18-13-6-7-14-12(10-13)8-9-20-14/h1-7,10,15,18H,8-9H2,(H2,17,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide?
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide has a molecular weight of 268.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide is sourced from PubChem (CID 35626827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).