formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

C22H37NO2 — CID 175104579

IUPACformamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILESCC1(C)C(=O)CC2CCC3C4CCCC4CCC3C2C1(C)C.NC=O
InChIInChI=1S/C21H34O.CH3NO/c1-20(2)18(22)12-14-9-10-16-15-7-5-6-13(15)8-11-17(16)19(14)21(20,3)4;2-1-3/h13-17,19H,5-12H2,1-4H3;1H,(H2,2,3)
InChIKeyXHAZLCRLOQXTOO-UHFFFAOYSA-N
MW347.54 g/mol
LogP4.58
Rot. Bonds

About formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (PubChem CID 175104579) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Nameformamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
PubChem CID175104579
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Nameformamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILESCC1(C)C(=O)CC2CCC3C4CCCC4CCC3C2C1(C)C.NC=O
InChIInChI=1S/C21H34O.CH3NO/c1-20(2)18(22)12-14-9-10-16-15-7-5-6-13(15)8-11-17(16)19(14)21(20,3)4;2-1-3/h13-17,19H,5-12H2,1-4H3;1H,(H2,2,3)
InChIKeyXHAZLCRLOQXTOO-UHFFFAOYSA-N
XLogP4.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
The IUPAC name of formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (CID 175104579) is formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
The canonical SMILES for formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one is CC1(C)C(=O)CC2CCC3C4CCCC4CCC3C2C1(C)C.NC=O.
What is the InChIKey of formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
The InChIKey is XHAZLCRLOQXTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O.CH3NO/c1-20(2)18(22)12-14-9-10-16-15-7-5-6-13(15)8-11-17(16)19(14)21(20,3)4;2-1-3/h13-17,19H,5-12H2,1-4H3;1H,(H2,2,3).
What are the key properties of formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 347.54 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 175104579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).