4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide

C18H27NO3 — CID 95293549

IUPAC4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
SMILESCOCCOCCCC(=O)N[C@H]1CCCCc2ccccc21
InChIInChI=1S/C18H27NO3/c1-21-13-14-22-12-6-11-18(20)19-17-10-5-3-8-15-7-2-4-9-16(15)17/h2,4,7,9,17H,3,5-6,8,10-14H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyGNWXATAXYPPJDB-KRWDZBQOSA-N
MW305.42 g/mol
LogP3.01
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide

4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide (PubChem CID 95293549) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
PubChem CID95293549
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
SMILESCOCCOCCCC(=O)N[C@H]1CCCCc2ccccc21
InChIInChI=1S/C18H27NO3/c1-21-13-14-22-12-6-11-18(20)19-17-10-5-3-8-15-7-2-4-9-16(15)17/h2,4,7,9,17H,3,5-6,8,10-14H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyGNWXATAXYPPJDB-KRWDZBQOSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115712000
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide (CID 95293549) is 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide is COCCOCCCC(=O)N[C@H]1CCCCc2ccccc21.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
The InChIKey is GNWXATAXYPPJDB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27NO3/c1-21-13-14-22-12-6-11-18(20)19-17-10-5-3-8-15-7-2-4-9-16(15)17/h2,4,7,9,17H,3,5-6,8,10-14H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide?
4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide is sourced from PubChem (CID 95293549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).