N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide

C18H26N2O — CID 107851708

IUPACN-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide
SMILESCCN(C)C(=O)CNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H26N2O/c1-3-20(2)17(21)12-19-18-15-8-9-16(18)11-14-7-5-4-6-13(14)10-15/h4-7,15-16,18-19H,3,8-12H2,1-2H3
InChIKeyIWGBAAYQAUUFLR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.25
Rot. Bonds4

About N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide

N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide (PubChem CID 107851708) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide
PubChem CID107851708
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide
SMILESCCN(C)C(=O)CNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H26N2O/c1-3-20(2)17(21)12-19-18-15-8-9-16(18)11-14-7-5-4-6-13(14)10-15/h4-7,15-16,18-19H,3,8-12H2,1-2H3
InChIKeyIWGBAAYQAUUFLR-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]butan-2-yl]propanamide
CID 23646335
2-(dipropylamino)-N-[(1-phenylcyclopentyl)methyl]propanamide;hydrochloride
CID 2921477
2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide
CID 45489070
2-(diethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 846518
1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67378515
N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide
CID 90654146
1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 90654147
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 90654148
2-(Diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 3055376
Acetamide, 2-(diethylamino)-N-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-, hydrochloride
CID 3055378
N-butyl-N'-(1-methyl-3-phenylpropyl)ethanediamide
CID 2908270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide (CID 107851708) is N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide is CCN(C)C(=O)CNC1C2CCC1Cc1ccccc1C2.
What is the InChIKey of N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide?
The InChIKey is IWGBAAYQAUUFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-20(2)17(21)12-19-18-15-8-9-16(18)11-14-7-5-4-6-13(14)10-15/h4-7,15-16,18-19H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide?
N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide has a molecular weight of 286.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide is sourced from PubChem (CID 107851708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).