N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide

C17H26N2O2 — CID 115712000

IUPACN-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCOCCNC(=O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-21-13-12-19-17(20)10-11-18-16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,16,18H,3,5,7,9-13H2,1H3,(H,19,20)
InChIKeyMOXLRRKUAFCWKN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.20
Rot. Bonds7

About N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide

N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (PubChem CID 115712000) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
PubChem CID115712000
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
SMILESCOCCNC(=O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-21-13-12-19-17(20)10-11-18-16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,16,18H,3,5,7,9-13H2,1H3,(H,19,20)
InChIKeyMOXLRRKUAFCWKN-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115889370
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308
N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
CID 115605298
4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95293549
3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711983
1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103905995
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
4-methoxy-2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103784290
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
N-(2-methoxyethyl)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115708011

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide (CID 115712000) is N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is COCCNC(=O)CCNC1CCCCc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
The InChIKey is MOXLRRKUAFCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-13-12-19-17(20)10-11-18-16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,16,18H,3,5,7,9-13H2,1H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide?
N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide is sourced from PubChem (CID 115712000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).