2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide

C25H23NO2 — CID 30394821

IUPAC2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H23NO2/c27-24(16-28-18-8-2-1-3-9-18)26-15-17-14-23-19-10-4-6-12-21(19)25(17)22-13-7-5-11-20(22)23/h1-13,17,23,25H,14-16H2,(H,26,27)/t17-,23?,25?/m0/s1
InChIKeyOEZNUGQAUXXACC-VYFUWZELSA-N
MW369.46 g/mol
LogP4.48
Rot. Bonds5

About 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide

2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide (PubChem CID 30394821) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
PubChem CID30394821
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H23NO2/c27-24(16-28-18-8-2-1-3-9-18)26-15-17-14-23-19-10-4-6-12-21(19)25(17)22-13-7-5-11-20(22)23/h1-13,17,23,25H,14-16H2,(H,26,27)/t17-,23?,25?/m0/s1
InChIKeyOEZNUGQAUXXACC-VYFUWZELSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43047581
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
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-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
N-[[2-[[(2-phenoxyacetyl)amino]methyl]cyclohexyl]methyl]propanamide
CID 159510445
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
CID 46553517
3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 16762907
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43027748
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
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

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide?
The IUPAC name of 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) is 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide is O=C(COc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide?
The InChIKey is OEZNUGQAUXXACC-VYFUWZELSA-N. The full InChI is InChI=1S/C25H23NO2/c27-24(16-28-18-8-2-1-3-9-18)26-15-17-14-23-19-10-4-6-12-21(19)25(17)22-13-7-5-11-20(22)23/h1-13,17,23,25H,14-16H2,(H,26,27)/t17-,23?,25?/m0/s1.
What are the key properties of 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide?
2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide has a molecular weight of 369.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide is sourced from PubChem (CID 30394821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).