(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide

C19H27NO3 — CID 97220924

IUPAC(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CC23CCOCC3)cc1
InChIInChI=1S/C19H27NO3/c1-14(12-15-4-6-16(22-3)7-5-15)20(2)18(21)17-13-19(17)8-10-23-11-9-19/h4-7,14,17H,8-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyPSMDBMOMTVNQEF-RHSMWYFYSA-N
MW317.43 g/mol
LogP2.90
Rot. Bonds5

About (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide

(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 97220924) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID97220924
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CC23CCOCC3)cc1
InChIInChI=1S/C19H27NO3/c1-14(12-15-4-6-16(22-3)7-5-15)20(2)18(21)17-13-19(17)8-10-23-11-9-19/h4-7,14,17H,8-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyPSMDBMOMTVNQEF-RHSMWYFYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565
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(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
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N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518
N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119709145
(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 95175385
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
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2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 78846846
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 115295391
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide (CID 97220924) is (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide is COc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CC23CCOCC3)cc1.
What is the InChIKey of (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is PSMDBMOMTVNQEF-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14(12-15-4-6-16(22-3)7-5-15)20(2)18(21)17-13-19(17)8-10-23-11-9-19/h4-7,14,17H,8-13H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide?
(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 97220924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).