(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C21H23NO3 — CID 127265809

IUPAC(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCOC(CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-24-19(15-7-3-2-4-8-15)14-22-20(23)17-13-21(17)11-12-25-18-10-6-5-9-16(18)21/h2-10,17,19H,11-14H2,1H3,(H,22,23)/t17-,19?,21-/m0/s1
InChIKeyRCPKDUYTIVFYMU-YIXKLDTESA-N
MW337.42 g/mol
LogP3.23
Rot. Bonds5

About (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 127265809) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID127265809
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCOC(CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO3/c1-24-19(15-7-3-2-4-8-15)14-22-20(23)17-13-21(17)11-12-25-18-10-6-5-9-16(18)21/h2-10,17,19H,11-14H2,1H3,(H,22,23)/t17-,19?,21-/m0/s1
InChIKeyRCPKDUYTIVFYMU-YIXKLDTESA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 120827446
(2S)-3-phenyl-2-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119366387
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
(1'R,4S)-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124882689
(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 154736325
N-(3-methoxy-6-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127395770
(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124885267
(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 126797479
(4S)-N-[(2R)-2-methoxy-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97062692
1-(2-fluorophenyl)-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide
CID 60543655
1-amino-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119278900
2-(2,2,2-trifluoroethoxy)ethyl (1'S,4R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 97219313

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 127265809) is (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is COC(CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12)c1ccccc1.
What is the InChIKey of (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is RCPKDUYTIVFYMU-YIXKLDTESA-N. The full InChI is InChI=1S/C21H23NO3/c1-24-19(15-7-3-2-4-8-15)14-22-20(23)17-13-21(17)11-12-25-18-10-6-5-9-16(18)21/h2-10,17,19H,11-14H2,1H3,(H,22,23)/t17-,19?,21-/m0/s1.
What are the key properties of (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 127265809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).