(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

C19H26N2O3 — CID 129431114

IUPAC(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)C[C@H](C)O1
InChIInChI=1S/C19H26N2O3/c1-12-9-21(10-14(24-12)11-23-2)19(22)20-8-17-16-7-13-5-3-4-6-15(13)18(16)17/h3-6,12,14,16-18H,7-11H2,1-2H3,(H,20,22)/t12-,14-,16-,17+,18+/m0/s1
InChIKeyYBCYLYJPQYCJNQ-GTAFRQKCSA-N
MW330.43 g/mol
LogP2.02
Rot. Bonds4

About (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 129431114) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID129431114
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)C[C@H](C)O1
InChIInChI=1S/C19H26N2O3/c1-12-9-21(10-14(24-12)11-23-2)19(22)20-8-17-16-7-13-5-3-4-6-15(13)18(16)17/h3-6,12,14,16-18H,7-11H2,1-2H3,(H,20,22)/t12-,14-,16-,17+,18+/m0/s1
InChIKeyYBCYLYJPQYCJNQ-GTAFRQKCSA-N
XLogP2.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide with MolForge

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Related Compounds

(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 129429378
4-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)morpholine-2,4-dicarboxamide
CID 136516118
1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 122007036
(2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 100651709
3-[[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-1-(2-ethylsulfonylethyl)-1-methylurea
CID 97058658
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124866660
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 166226827
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 99823805
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (CID 129431114) is (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is COC[C@@H]1CN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is YBCYLYJPQYCJNQ-GTAFRQKCSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-9-21(10-14(24-12)11-23-2)19(22)20-8-17-16-7-13-5-3-4-6-15(13)18(16)17/h3-6,12,14,16-18H,7-11H2,1-2H3,(H,20,22)/t12-,14-,16-,17+,18+/m0/s1.
What are the key properties of (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 129431114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).