(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide

C23H34N2O2 — CID 143553713

IUPAC(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide
SMILESC/C=C\C(=N/C)NC(=O)[C@@H](C)C1CCc2c(C)cc(OCCC)c(C)c2C1
InChIInChI=1S/C23H34N2O2/c1-7-9-22(24-6)25-23(26)16(4)18-10-11-19-15(3)13-21(27-12-8-2)17(5)20(19)14-18/h7,9,13,16,18H,8,10-12,14H2,1-6H3,(H,24,25,26)/b9-7-/t16-,18?/m0/s1
InChIKeyITVZXLVPCYQCPQ-DLHUBZANSA-N
MW370.54 g/mol
LogP4.55
Rot. Bonds6

About (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide

(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide (PubChem CID 143553713) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide
PubChem CID143553713
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide
SMILESC/C=C\C(=N/C)NC(=O)[C@@H](C)C1CCc2c(C)cc(OCCC)c(C)c2C1
InChIInChI=1S/C23H34N2O2/c1-7-9-22(24-6)25-23(26)16(4)18-10-11-19-15(3)13-21(27-12-8-2)17(5)20(19)14-18/h7,9,13,16,18H,8,10-12,14H2,1-6H3,(H,24,25,26)/b9-7-/t16-,18?/m0/s1
InChIKeyITVZXLVPCYQCPQ-DLHUBZANSA-N
XLogP4.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 23651410
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 7135455
2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 134787155
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 3719827
2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 7135426
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide
CID 7051561
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
[1-(2-chloro-3-pyridinyl)triazol-4-yl]methyl (2R)-2-[(2R)-7-acetyloxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 134156515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide?
The IUPAC name of (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide (CID 143553713) is (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide.
What is the SMILES notation for (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide?
The canonical SMILES for (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide is C/C=C\C(=N/C)NC(=O)[C@@H](C)C1CCc2c(C)cc(OCCC)c(C)c2C1.
What is the InChIKey of (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide?
The InChIKey is ITVZXLVPCYQCPQ-DLHUBZANSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-7-9-22(24-6)25-23(26)16(4)18-10-11-19-15(3)13-21(27-12-8-2)17(5)20(19)14-18/h7,9,13,16,18H,8,10-12,14H2,1-6H3,(H,24,25,26)/b9-7-/t16-,18?/m0/s1.
What are the key properties of (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide?
(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide has a molecular weight of 370.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide is sourced from PubChem (CID 143553713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).