butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane

C37H72N2O — CID 145092429

About butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane

butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane (PubChem CID 145092429) has the molecular formula C37H72N2O and a molecular weight of 561.00 g/mol. Its IUPAC name is butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane.

Molecular Properties

• Compound Name: butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane
• PubChem CID: 145092429
• Molecular Formula: C37H72N2O
• Molecular Weight: 561.00 g/mol
• Exact Mass: 560.56
• IUPAC Name: butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane
• SMILES: CC.CCCC.CNC(=O)N(C)C(C)C(C)(C)C(C)(C)CC1CCC2C3CCC4CCCCC4(C)C3CCC12C
• InChI: InChI=1S/C31H56N2O.C4H10.C2H6/c1-21(33(9)27(34)32-8)29(4,5)28(2,3)20-23-14-16-25-24-15-13-22-12-10-11-18-30(22,6)26(24)17-19-31(23,25)7;1-3-4-2;1-2/h21-26H,10-20H2,1-9H3,(H,32,34);3-4H2,1-2H3;1-2H3
• InChIKey: ZTNNTOMTSOTNSF-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.00
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane?

The IUPAC name of butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane (CID 145092429) is butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane.

What is the SMILES notation for butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane?

The canonical SMILES for butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane is CC.CCCC.CNC(=O)N(C)C(C)C(C)(C)C(C)(C)CC1CCC2C3CCC4CCCCC4(C)C3CCC12C.

What is the InChIKey of butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane?

The InChIKey is ZTNNTOMTSOTNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N2O.C4H10.C2H6/c1-21(33(9)27(34)32-8)29(4,5)28(2,3)20-23-14-16-25-24-15-13-22-12-10-11-18-30(22,6)26(24)17-19-31(23,25)7;1-3-4-2;1-2/h21-26H,10-20H2,1-9H3,(H,32,34);3-4H2,1-2H3;1-2H3.

What are the key properties of butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane?

butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane has a molecular weight of 561.00 g/mol, XLogP of 10.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for butane;1-[5-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3,3,4,4-tetramethylpentan-2-yl]-1,3-dimethylurea;ethane is sourced from PubChem (CID 145092429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).