(2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide

C20H29NO3 — CID 11883209

IUPAC(2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OC)c(C)c2[C@@H]1O
InChIInChI=1S/C20H29NO3/c1-7-10-21(5)20(23)13(3)16-9-8-15-12(2)11-17(24-6)14(4)18(15)19(16)22/h7,11,13,16,19,22H,1,8-10H2,2-6H3/t13-,16+,19+/m0/s1
InChIKeyMVMJQZZGPGKLAO-URKNILKWSA-N
MW331.46 g/mol
LogP3.19
Rot. Bonds5

About (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide

(2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide (PubChem CID 11883209) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide
PubChem CID11883209
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OC)c(C)c2[C@@H]1O
InChIInChI=1S/C20H29NO3/c1-7-10-21(5)20(23)13(3)16-9-8-15-12(2)11-17(24-6)14(4)18(15)19(16)22/h7,11,13,16,19,22H,1,8-10H2,2-6H3/t13-,16+,19+/m0/s1
InChIKeyMVMJQZZGPGKLAO-URKNILKWSA-N
XLogP3.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide with MolForge

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Related Compounds

(2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide
CID 26763357
(2S)-N-benzyl-2-[(1R)-1-hydroxy-5,8-dimethyl-7-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide
CID 44716767
(2S)-N-cyclopropyl-2-[(1R)-1-hydroxy-5,8-dimethyl-7-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 44716768
(2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide
CID 45361345
(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11867330
7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10954731
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
(2S)-2-[(1R,2S)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 11867349
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
CID 134787221
(2S)-2-[(4S,4aS,5S,6R,8aR)-5-hydroxy-2,4,8a-trimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methyl-N-prop-2-enylpropanamide
CID 162802100
2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 116676120
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide (CID 11883209) is (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)[C@@H](C)[C@H]1CCc2c(C)cc(OC)c(C)c2[C@@H]1O.
What is the InChIKey of (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide?
The InChIKey is MVMJQZZGPGKLAO-URKNILKWSA-N. The full InChI is InChI=1S/C20H29NO3/c1-7-10-21(5)20(23)13(3)16-9-8-15-12(2)11-17(24-6)14(4)18(15)19(16)22/h7,11,13,16,19,22H,1,8-10H2,2-6H3/t13-,16+,19+/m0/s1.
What are the key properties of (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide?
(2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 11883209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).