2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

C26H25NO3 — CID 43047581

IUPAC2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H25NO3/c1-29-23-12-6-7-13-24(23)30-16-25(28)27-15-17-14-22-18-8-2-4-10-20(18)26(17)21-11-5-3-9-19(21)22/h2-13,17,22,26H,14-16H2,1H3,(H,27,28)
InChIKeyXNJOCYWTNJZFTD-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.49
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (PubChem CID 43047581) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
PubChem CID43047581
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H25NO3/c1-29-23-12-6-7-13-24(23)30-16-25(28)27-15-17-14-22-18-8-2-4-10-20(18)26(17)21-11-5-3-9-19(21)22/h2-13,17,22,26H,14-16H2,1H3,(H,27,28)
InChIKeyXNJOCYWTNJZFTD-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24655876
2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30394821
4-(3,4-dimethoxyphenyl)-4-oxo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)butanamide
CID 24655878
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
CID 102548369
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide
CID 166429192
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (CID 43047581) is 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is COc1ccccc1OCC(=O)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The InChIKey is XNJOCYWTNJZFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-29-23-12-6-7-13-24(23)30-16-25(28)27-15-17-14-22-18-8-2-4-10-20(18)26(17)21-11-5-3-9-19(21)22/h2-13,17,22,26H,14-16H2,1H3,(H,27,28).
What are the key properties of 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is sourced from PubChem (CID 43047581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).