2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

C18H29NO — CID 141412102

IUPAC2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESNC(=O)C1CCC2C1CCC1C3CCCCC3CCC12
InChIInChI=1S/C18H29NO/c19-18(20)17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h11-17H,1-10H2,(H2,19,20)
InChIKeyZGQJHSLTTSHLBS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.74
Rot. Bonds1

About 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide (PubChem CID 141412102) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
PubChem CID141412102
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESNC(=O)C1CCC2C1CCC1C3CCCCC3CCC12
InChIInChI=1S/C18H29NO/c19-18(20)17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h11-17H,1-10H2,(H2,19,20)
InChIKeyZGQJHSLTTSHLBS-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide (CID 141412102) is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The canonical SMILES for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide is NC(=O)C1CCC2C1CCC1C3CCCCC3CCC12.
What is the InChIKey of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The InChIKey is ZGQJHSLTTSHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c19-18(20)17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h11-17H,1-10H2,(H2,19,20).
What are the key properties of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide has a molecular weight of 275.44 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide is sourced from PubChem (CID 141412102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).