(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide

C19H28N2O4 — CID 72937883

IUPAC(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO
InChIInChI=1S/C19H28N2O4/c1-14-4-2-3-5-15(14)13-20-18(24)21-8-6-19(7-9-21)16(23)12-17(19)25-11-10-22/h2-5,16-17,22-23H,6-13H2,1H3,(H,20,24)/t16-,17+/m1/s1
InChIKeyIKPAIJUFFCFVAP-SJORKVTESA-N
MW348.44 g/mol
LogP1.43
Rot. Bonds5

About (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide

(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 72937883) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID72937883
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO
InChIInChI=1S/C19H28N2O4/c1-14-4-2-3-5-15(14)13-20-18(24)21-8-6-19(7-9-21)16(23)12-17(19)25-11-10-22/h2-5,16-17,22-23H,6-13H2,1H3,(H,20,24)/t16-,17+/m1/s1
InChIKeyIKPAIJUFFCFVAP-SJORKVTESA-N
XLogP1.43
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

1-Methoxy-N-[(4-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 124045367
(1R*,3S*)-1,3-dihydroxy-N-(4-methylbenzyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 70777875
(1R*,3S*)-N-(4-fluorobenzyl)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72872231
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
(4S*)-N-(2-fluorobenzyl)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
CID 72905924
N-[(2-ethylphenyl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 112319433
N-[(2-methylphenyl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 112331894
8-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]-5-azaspiro[3.5]nonane-5-carboxamide
CID 128853145
N-benzyl-4-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-1-piperidinecarboxamide
CID 45246158
2-(hydroxymethyl)-N-[3-methyl-1-(2-methylphenyl)butyl]morpholine-4-carboxamide
CID 71861152
3-(4-Hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]-1-piperidin-4-ylurea
CID 141100662
1-(4-Hydroxycyclohexyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 52219550

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide (CID 72937883) is (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide is Cc1ccccc1CNC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO.
What is the InChIKey of (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is IKPAIJUFFCFVAP-SJORKVTESA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14-4-2-3-5-15(14)13-20-18(24)21-8-6-19(7-9-21)16(23)12-17(19)25-11-10-22/h2-5,16-17,22-23H,6-13H2,1H3,(H,20,24)/t16-,17+/m1/s1.
What are the key properties of (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide?
(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 72937883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).