N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide

C22H21NO2 — CID 101142941

IUPACN-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
SMILESCC(=O)N(Cc1ccco1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H21NO2/c1-16(24)23(15-19-9-6-14-25-19)22-20-10-4-2-7-17(20)12-13-18-8-3-5-11-21(18)22/h2-11,14,22H,12-13,15H2,1H3
InChIKeyUBIBGMULXVETHM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.52
Rot. Bonds3

About N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide

N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide (PubChem CID 101142941) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
PubChem CID101142941
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
SMILESCC(=O)N(Cc1ccco1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H21NO2/c1-16(24)23(15-19-9-6-14-25-19)22-20-10-4-2-7-17(20)12-13-18-8-3-5-11-21(18)22/h2-11,14,22H,12-13,15H2,1H3
InChIKeyUBIBGMULXVETHM-UHFFFAOYSA-N
XLogP4.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[furan-2-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide
CID 67865264
N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 66847258
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
(1R)-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 124578245
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051160
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103028787
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide (CID 101142941) is N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide is CC(=O)N(Cc1ccco1)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The InChIKey is UBIBGMULXVETHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16(24)23(15-19-9-6-14-25-19)22-20-10-4-2-7-17(20)12-13-18-8-3-5-11-21(18)22/h2-11,14,22H,12-13,15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide is sourced from PubChem (CID 101142941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).