3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide

C32H66N4O2 — CID 91359656

IUPAC3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
SMILESCCN(CCC(=O)NCC(C)(C)CC(C)(C)CC)CCN(CC)CCC(=O)NCC(C)(CC)CC(C)(C)C
InChIInChI=1S/C32H66N4O2/c1-13-30(8,9)24-31(10,11)25-33-27(37)17-19-35(15-3)21-22-36(16-4)20-18-28(38)34-26-32(12,14-2)23-29(5,6)7/h13-26H2,1-12H3,(H,33,37)(H,34,38)
InChIKeyHGTKCAQOUYWFQM-UHFFFAOYSA-N
MW538.91 g/mol
LogP6.35
Rot. Bonds20

About 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide

3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide (PubChem CID 91359656) has the molecular formula C32H66N4O2 and a molecular weight of 538.91 g/mol. Its IUPAC name is 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
PubChem CID91359656
Molecular FormulaC32H66N4O2
Molecular Weight538.91 g/mol
Exact Mass538.52
IUPAC Name3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
SMILESCCN(CCC(=O)NCC(C)(C)CC(C)(C)CC)CCN(CC)CCC(=O)NCC(C)(CC)CC(C)(C)C
InChIInChI=1S/C32H66N4O2/c1-13-30(8,9)24-31(10,11)25-33-27(37)17-19-35(15-3)21-22-36(16-4)20-18-28(38)34-26-32(12,14-2)23-29(5,6)7/h13-26H2,1-12H3,(H,33,37)(H,34,38)
InChIKeyHGTKCAQOUYWFQM-UHFFFAOYSA-N
XLogP6.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.91
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide with MolForge

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Related Compounds

N-(6-Amino-2,2,4(or2,4,4)-trimethylhexyl)-3-((6-amino-2,2,4(or2,4,4)-trimethylhexyl)amino)propionamide, mono(2-cyanoethyl) derivative
CID 56842696
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-dodecylpropanamide
CID 16006200
3-[2-[2-[2-aminoethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 16006298
3-[2-aminoethyl-[2-[2-aminoethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]-N-dodecylpropanamide
CID 16006300
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 46241400
3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241401
3-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]-N-dodecylpropanamide
CID 46241492
3-[2-aminoethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 46241493
3-[ethyl-[2-[ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]ethyl]amino]-N-tetradecylpropanamide
CID 46241594
3-[ethyl-[2-[ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]ethyl]amino]-N-pentadecylpropanamide
CID 46241596
3-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-methylamino]-N-dodecylpropanamide
CID 46241704
N-dodecyl-3-[2-[[3-(dodecylamino)-3-oxopropyl]-methylamino]ethylamino]propanamide
CID 46241705

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
The IUPAC name of 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide (CID 91359656) is 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide.
What is the SMILES notation for 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
The canonical SMILES for 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide is CCN(CCC(=O)NCC(C)(C)CC(C)(C)CC)CCN(CC)CCC(=O)NCC(C)(CC)CC(C)(C)C.
What is the InChIKey of 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
The InChIKey is HGTKCAQOUYWFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66N4O2/c1-13-30(8,9)24-31(10,11)25-33-27(37)17-19-35(15-3)21-22-36(16-4)20-18-28(38)34-26-32(12,14-2)23-29(5,6)7/h13-26H2,1-12H3,(H,33,37)(H,34,38).
What are the key properties of 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide?
3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide has a molecular weight of 538.91 g/mol, XLogP of 6.35, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[ethyl-[3-[(2-ethyl-2,4,4-trimethylpentyl)amino]-3-oxopropyl]amino]ethyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide is sourced from PubChem (CID 91359656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).