N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide

C18H25NO2 — CID 166215337

IUPACN-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide
SMILESCC1CCCc2ccccc2C1NC(=O)C1CCOCC1
InChIInChI=1S/C18H25NO2/c1-13-5-4-7-14-6-2-3-8-16(14)17(13)19-18(20)15-9-11-21-12-10-15/h2-3,6,8,13,15,17H,4-5,7,9-12H2,1H3,(H,19,20)
InChIKeyZDQZWWLQZSERPM-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.24
Rot. Bonds2

About N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide

N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide (PubChem CID 166215337) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide
PubChem CID166215337
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide
SMILESCC1CCCc2ccccc2C1NC(=O)C1CCOCC1
InChIInChI=1S/C18H25NO2/c1-13-5-4-7-14-6-2-3-8-16(14)17(13)19-18(20)15-9-11-21-12-10-15/h2-3,6,8,13,15,17H,4-5,7,9-12H2,1H3,(H,19,20)
InChIKeyZDQZWWLQZSERPM-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
N-(2-amino-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide
CID 63755990
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
4-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]cyclohexane-1-carboxylic acid
CID 122032898
3-acetamido-N-[(5S,6S)-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 99784164
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
CID 62758276
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide
CID 70274583
2-[ethyl-[3-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122010091
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide?
The IUPAC name of N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide (CID 166215337) is N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide?
The canonical SMILES for N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide is CC1CCCc2ccccc2C1NC(=O)C1CCOCC1.
What is the InChIKey of N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide?
The InChIKey is ZDQZWWLQZSERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-5-4-7-14-6-2-3-8-16(14)17(13)19-18(20)15-9-11-21-12-10-15/h2-3,6,8,13,15,17H,4-5,7,9-12H2,1H3,(H,19,20).
What are the key properties of N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide?
N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 166215337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).