1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide

C23H29NO — CID 118648753

IUPAC1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide
SMILESNC(=O)C1=CC2=C3CCCCC3CCC2C2=C1C1=CCCCC1CC2
InChIInChI=1S/C23H29NO/c24-23(25)21-13-20-16-7-3-1-5-14(16)9-11-18(20)19-12-10-15-6-2-4-8-17(15)22(19)21/h8,13-15,18H,1-7,9-12H2,(H2,24,25)
InChIKeySFFUGQCUKVVRLL-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.13
Rot. Bonds1

About 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide

1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide (PubChem CID 118648753) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide
PubChem CID118648753
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide
SMILESNC(=O)C1=CC2=C3CCCCC3CCC2C2=C1C1=CCCCC1CC2
InChIInChI=1S/C23H29NO/c24-23(25)21-13-20-16-7-3-1-5-14(16)9-11-18(20)19-12-10-15-6-2-4-8-17(15)22(19)21/h8,13-15,18H,1-7,9-12H2,(H2,24,25)
InChIKeySFFUGQCUKVVRLL-UHFFFAOYSA-N
XLogP5.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide?
The IUPAC name of 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide (CID 118648753) is 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide.
What is the SMILES notation for 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide?
The canonical SMILES for 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide is NC(=O)C1=CC2=C3CCCCC3CCC2C2=C1C1=CCCCC1CC2.
What is the InChIKey of 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide?
The InChIKey is SFFUGQCUKVVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c24-23(25)21-13-20-16-7-3-1-5-14(16)9-11-18(20)19-12-10-15-6-2-4-8-17(15)22(19)21/h8,13-15,18H,1-7,9-12H2,(H2,24,25).
What are the key properties of 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide?
1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 5.13, 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,5,6,6a,7,8,8a,9,10,11-tetradecahydropicene-13-carboxamide is sourced from PubChem (CID 118648753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).