1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide

C19H21NO — CID 137353087

IUPAC1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide
SMILESNC(=O)C1CCCC2CC3Cc4ccccc4C=C3C=C21
InChIInChI=1S/C19H21NO/c20-19(21)17-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-18(14)17/h1-2,4-5,9,11,14-15,17H,3,6-8,10H2,(H2,20,21)
InChIKeyRLLQRWOJVBFFOH-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.47
Rot. Bonds1

About 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide

1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide (PubChem CID 137353087) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide
PubChem CID137353087
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide
SMILESNC(=O)C1CCCC2CC3Cc4ccccc4C=C3C=C21
InChIInChI=1S/C19H21NO/c20-19(21)17-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-18(14)17/h1-2,4-5,9,11,14-15,17H,3,6-8,10H2,(H2,20,21)
InChIKeyRLLQRWOJVBFFOH-UHFFFAOYSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide?
The IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide (CID 137353087) is 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide?
The canonical SMILES for 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide is NC(=O)C1CCCC2CC3Cc4ccccc4C=C3C=C21.
What is the InChIKey of 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide?
The InChIKey is RLLQRWOJVBFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c20-19(21)17-7-3-6-14-10-15-8-12-4-1-2-5-13(12)9-16(15)11-18(14)17/h1-2,4-5,9,11,14-15,17H,3,6-8,10H2,(H2,20,21).
What are the key properties of 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide?
1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide is sourced from PubChem (CID 137353087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).