4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide

C20H23NO2 — CID 21402974

IUPAC4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide
SMILESO=C(CCCO)NCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H23NO2/c22-13-5-10-20(23)21-14-19-17-8-3-1-6-15(17)11-12-16-7-2-4-9-18(16)19/h1-4,6-9,19,22H,5,10-14H2,(H,21,23)
InChIKeyWBWAOQDVDNVFOV-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.81
Rot. Bonds5

About 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide

4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide (PubChem CID 21402974) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide
PubChem CID21402974
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide
SMILESO=C(CCCO)NCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H23NO2/c22-13-5-10-20(23)21-14-19-17-8-3-1-6-15(17)11-12-16-7-2-4-9-18(16)19/h1-4,6-9,19,22H,5,10-14H2,(H,21,23)
InChIKeyWBWAOQDVDNVFOV-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide
CID 44579236
4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide
CID 46579063
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate
CID 70238152
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95326159
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide (CID 21402974) is 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide is O=C(CCCO)NCC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide?
The InChIKey is WBWAOQDVDNVFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-13-5-10-20(23)21-14-19-17-8-3-1-6-15(17)11-12-16-7-2-4-9-18(16)19/h1-4,6-9,19,22H,5,10-14H2,(H,21,23).
What are the key properties of 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide?
4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide has a molecular weight of 309.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide is sourced from PubChem (CID 21402974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).