3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide

C18H26N2O2 — CID 91660357

IUPAC3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CCCOc2cc3c(cc21)CCC3)C(N)=O
InChIInChI=1S/C18H26N2O2/c1-18(2,17(19)21)11-20-15-7-4-8-22-16-10-13-6-3-5-12(13)9-14(15)16/h9-10,15,20H,3-8,11H2,1-2H3,(H2,19,21)
InChIKeyZTCCBONCOMIFIA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.49
Rot. Bonds4

About 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide

3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide (PubChem CID 91660357) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide
PubChem CID91660357
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CCCOc2cc3c(cc21)CCC3)C(N)=O
InChIInChI=1S/C18H26N2O2/c1-18(2,17(19)21)11-20-15-7-4-8-22-16-10-13-6-3-5-12(13)9-14(15)16/h9-10,15,20H,3-8,11H2,1-2H3,(H2,19,21)
InChIKeyZTCCBONCOMIFIA-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide (CID 91660357) is 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide is CC(C)(CNC1CCCOc2cc3c(cc21)CCC3)C(N)=O.
What is the InChIKey of 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide?
The InChIKey is ZTCCBONCOMIFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,17(19)21)11-20-15-7-4-8-22-16-10-13-6-3-5-12(13)9-14(15)16/h9-10,15,20H,3-8,11H2,1-2H3,(H2,19,21).
What are the key properties of 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide?
3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-ylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 91660357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).