(1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide

C19H26N2O4 — CID 129433897

IUPAC(1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
SMILESCOCCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1
InChIInChI=1S/C19H26N2O4/c1-24-5-6-25-15-4-2-3-12(7-15)10-20-19(23)21-11-14-8-13-9-16(14)17(21)18(13)22/h2-4,7,13-14,16-18,22H,5-6,8-11H2,1H3,(H,20,23)/t13-,14-,16+,17-,18+/m0/s1
InChIKeyUZSLTRNWNDIIEE-VGAPYMQISA-N
MW346.43 g/mol
LogP1.62
Rot. Bonds6

About (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide

(1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide (PubChem CID 129433897) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
PubChem CID129433897
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
SMILESCOCCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1
InChIInChI=1S/C19H26N2O4/c1-24-5-6-25-15-4-2-3-12(7-15)10-20-19(23)21-11-14-8-13-9-16(14)17(21)18(13)22/h2-4,7,13-14,16-18,22H,5-6,8-11H2,1H3,(H,20,23)/t13-,14-,16+,17-,18+/m0/s1
InChIKeyUZSLTRNWNDIIEE-VGAPYMQISA-N
XLogP1.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide with MolForge

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Related Compounds

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CID 129430143
(1S,2S,3R,6R,7R)-N-[(2-butoxy-3-pyridinyl)methyl]-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
CID 129430196
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
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CID 122020421
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CID 119723299
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
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CID 55801473
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(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523776
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723309
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
The IUPAC name of (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide (CID 129433897) is (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide.
What is the SMILES notation for (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
The canonical SMILES for (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide is COCCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1.
What is the InChIKey of (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
The InChIKey is UZSLTRNWNDIIEE-VGAPYMQISA-N. The full InChI is InChI=1S/C19H26N2O4/c1-24-5-6-25-15-4-2-3-12(7-15)10-20-19(23)21-11-14-8-13-9-16(14)17(21)18(13)22/h2-4,7,13-14,16-18,22H,5-6,8-11H2,1H3,(H,20,23)/t13-,14-,16+,17-,18+/m0/s1.
What are the key properties of (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
(1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,6R,7R)-2-hydroxy-N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide is sourced from PubChem (CID 129433897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).