3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide

C27H56N4O2 — CID 89061413

IUPAC3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
SMILESCNCCN(CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C
InChIInChI=1S/C27H56N4O2/c1-24(2,3)18-26(7,8)20-29-22(32)12-15-31(17-14-28-11)16-13-23(33)30-21-27(9,10)19-25(4,5)6/h28H,12-21H2,1-11H3,(H,29,32)(H,30,33)
InChIKeyOWIVXHFTGSQXPZ-UHFFFAOYSA-N
MW468.77 g/mol
LogP4.45
Rot. Bonds15

About 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide

3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide (PubChem CID 89061413) has the molecular formula C27H56N4O2 and a molecular weight of 468.77 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
PubChem CID89061413
Molecular FormulaC27H56N4O2
Molecular Weight468.77 g/mol
Exact Mass468.44
IUPAC Name3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
SMILESCNCCN(CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C
InChIInChI=1S/C27H56N4O2/c1-24(2,3)18-26(7,8)20-29-22(32)12-15-31(17-14-28-11)16-13-23(33)30-21-27(9,10)19-25(4,5)6/h28H,12-21H2,1-11H3,(H,29,32)(H,30,33)
InChIKeyOWIVXHFTGSQXPZ-UHFFFAOYSA-N
XLogP4.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.77
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[2-[2-[bis[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethylamino]ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 91045075
3-[2-(2-hydroxyethylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylhexylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 90867767
3-[2-[methyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethylamino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 90791613
3-[2-hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
CID 90920758
3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
CID 89061392
N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
CID 115271206
ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide
CID 178061969
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
CID 4135025
methyl 3-[2-[3-[[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]-(2-chloroethyl)amino]propanoylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 134432785
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
The IUPAC name of 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide (CID 89061413) is 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide.
What is the SMILES notation for 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
The canonical SMILES for 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide is CNCCN(CCC(=O)NCC(C)(C)CC(C)(C)C)CCC(=O)NCC(C)(C)CC(C)(C)C.
What is the InChIKey of 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
The InChIKey is OWIVXHFTGSQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N4O2/c1-24(2,3)18-26(7,8)20-29-22(32)12-15-31(17-14-28-11)16-13-23(33)30-21-27(9,10)19-25(4,5)6/h28H,12-21H2,1-11H3,(H,29,32)(H,30,33).
What are the key properties of 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide?
3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide has a molecular weight of 468.77 g/mol, XLogP of 4.45, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide is sourced from PubChem (CID 89061413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).