(1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide

C20H27NO3 — CID 128969545

IUPAC(1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCC1(C)C[C@@]2(C[C@@H]2C(=O)NCCC2CCCO2)c2ccccc2O1
InChIInChI=1S/C20H27NO3/c1-19(2)13-20(15-7-3-4-8-17(15)24-19)12-16(20)18(22)21-10-9-14-6-5-11-23-14/h3-4,7-8,14,16H,5-6,9-13H2,1-2H3,(H,21,22)/t14?,16-,20+/m1/s1
InChIKeyMDTUAWUBMFVVMY-CVEXUSBASA-N
MW329.44 g/mol
LogP3.19
Rot. Bonds4

About (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide

(1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 128969545) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID128969545
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCC1(C)C[C@@]2(C[C@@H]2C(=O)NCCC2CCCO2)c2ccccc2O1
InChIInChI=1S/C20H27NO3/c1-19(2)13-20(15-7-3-4-8-17(15)24-19)12-16(20)18(22)21-10-9-14-6-5-11-23-14/h3-4,7-8,14,16H,5-6,9-13H2,1-2H3,(H,21,22)/t14?,16-,20+/m1/s1
InChIKeyMDTUAWUBMFVVMY-CVEXUSBASA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1'S,4R)-N-cyclopropyl-2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide
CID 129324944
[(1'S,4R)-2,2-dimethylspiro[3H-chromene-4,2'-cyclopropane]-1'-yl]-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 129324469
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
2,2-dimethyl-3-[2-(oxolan-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835996
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80501458
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
1-benzylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 55690454
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480

Frequently Asked Questions

What is the IUPAC name of (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide (CID 128969545) is (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide is CC1(C)C[C@@]2(C[C@@H]2C(=O)NCCC2CCCO2)c2ccccc2O1.
What is the InChIKey of (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is MDTUAWUBMFVVMY-CVEXUSBASA-N. The full InChI is InChI=1S/C20H27NO3/c1-19(2)13-20(15-7-3-4-8-17(15)24-19)12-16(20)18(22)21-10-9-14-6-5-11-23-14/h3-4,7-8,14,16H,5-6,9-13H2,1-2H3,(H,21,22)/t14?,16-,20+/m1/s1.
What are the key properties of (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide?
(1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4R)-2,2-dimethyl-N-[2-(oxolan-2-yl)ethyl]spiro[3H-chromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 128969545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).