(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide

C20H22N2O3 — CID 35644639

IUPAC(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide
SMILESNC(=O)[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c21-19(23)18(14-7-3-1-4-8-14)22-15-9-10-16-17(13-15)25-20(24-16)11-5-2-6-12-20/h1,3-4,7-10,13,18,22H,2,5-6,11-12H2,(H2,21,23)/t18-/m0/s1
InChIKeyXVMIGNOYJXDEMS-SFHVURJKSA-N
MW338.41 g/mol
LogP3.76
Rot. Bonds4

About (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide

(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide (PubChem CID 35644639) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide
PubChem CID35644639
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide
SMILESNC(=O)[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c21-19(23)18(14-7-3-1-4-8-14)22-15-9-10-16-17(13-15)25-20(24-16)11-5-2-6-12-20/h1,3-4,7-10,13,18,22H,2,5-6,11-12H2,(H2,21,23)/t18-/m0/s1
InChIKeyXVMIGNOYJXDEMS-SFHVURJKSA-N
XLogP3.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide
CID 35626827
2-[[(1R)-1-phenylethyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 9248531
(2S)-N-(methylcarbamoyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644241
2-chloro-2-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 166428021
2-bromo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563091
N-(1,3-benzodioxol-5-yl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 55598967
2-anilino-2-phenylacetamide;ethane
CID 142824395
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 3-phenylpropanoate
CID 7516902
2-iodo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26757516
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
3-[3-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)-2-phenylpropylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 90978245

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide?
The IUPAC name of (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide (CID 35644639) is (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide?
The canonical SMILES for (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide is NC(=O)[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide?
The InChIKey is XVMIGNOYJXDEMS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-19(23)18(14-7-3-1-4-8-14)22-15-9-10-16-17(13-15)25-20(24-16)11-5-2-6-12-20/h1,3-4,7-10,13,18,22H,2,5-6,11-12H2,(H2,21,23)/t18-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide?
(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide is sourced from PubChem (CID 35644639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).