2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide

C20H29NO2 — CID 154108346

IUPAC2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide
SMILESCCCCCC(Oc1ccc2c(c1)CC1CCCCC21)C(N)=O
InChIInChI=1S/C20H29NO2/c1-2-3-4-9-19(20(21)22)23-16-10-11-18-15(13-16)12-14-7-5-6-8-17(14)18/h10-11,13-14,17,19H,2-9,12H2,1H3,(H2,21,22)
InChIKeyDTXFOLUBKLKTRZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.33
Rot. Bonds7

About 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide

2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide (PubChem CID 154108346) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide.

Molecular Properties

Compound Name2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide
PubChem CID154108346
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide
SMILESCCCCCC(Oc1ccc2c(c1)CC1CCCCC21)C(N)=O
InChIInChI=1S/C20H29NO2/c1-2-3-4-9-19(20(21)22)23-16-10-11-18-15(13-16)12-14-7-5-6-8-17(14)18/h10-11,13-14,17,19H,2-9,12H2,1H3,(H2,21,22)
InChIKeyDTXFOLUBKLKTRZ-UHFFFAOYSA-N
XLogP4.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluorophenoxy)octanamide
CID 175719063
2-(3-formylphenoxy)octanamide
CID 123140389
ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
CID 67822342
4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yloxymethyl 4-ethyloctanoate
CID 145474832
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683580
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
ethyl 2-phenoxydecanoate
CID 101000092
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
CID 63097258
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
2-(3-aminophenoxy)butanamide
CID 62901524
4-(1-carboxydecoxy)benzoic acid
CID 23304106

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide?
The IUPAC name of 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide (CID 154108346) is 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide.
What is the SMILES notation for 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide?
The canonical SMILES for 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide is CCCCCC(Oc1ccc2c(c1)CC1CCCCC21)C(N)=O.
What is the InChIKey of 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide?
The InChIKey is DTXFOLUBKLKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-3-4-9-19(20(21)22)23-16-10-11-18-15(13-16)12-14-7-5-6-8-17(14)18/h10-11,13-14,17,19H,2-9,12H2,1H3,(H2,21,22).
What are the key properties of 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide?
2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide has a molecular weight of 315.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide is sourced from PubChem (CID 154108346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).