2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide

C23H47N3O2 — CID 20759278

IUPAC2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide
SMILESCN(CCCNC(=O)C(C)(C)C(C)(C)C)CCCNC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C23H47N3O2/c1-20(2,3)22(7,8)18(27)24-14-12-16-26(11)17-13-15-25-19(28)23(9,10)21(4,5)6/h12-17H2,1-11H3,(H,24,27)(H,25,28)
InChIKeyQHCXJRHMSVNPPZ-UHFFFAOYSA-N
MW397.65 g/mol
LogP4.08
Rot. Bonds10

About 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide

2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide (PubChem CID 20759278) has the molecular formula C23H47N3O2 and a molecular weight of 397.65 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide
PubChem CID20759278
Molecular FormulaC23H47N3O2
Molecular Weight397.65 g/mol
Exact Mass397.37
IUPAC Name2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide
SMILESCN(CCCNC(=O)C(C)(C)C(C)(C)C)CCCNC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C23H47N3O2/c1-20(2,3)22(7,8)18(27)24-14-12-16-26(11)17-13-15-25-19(28)23(9,10)21(4,5)6/h12-17H2,1-11H3,(H,24,27)(H,25,28)
InChIKeyQHCXJRHMSVNPPZ-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide with MolForge

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Related Compounds

trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium
CID 20759368
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
2-hydroxy-N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide
CID 20627469
2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide
CID 59105475
2-[methyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]amino]ethanesulfonic acid
CID 23563877
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate
CID 166979736
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
CID 101389014
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
CID 65269336
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide (CID 20759278) is 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide is CN(CCCNC(=O)C(C)(C)C(C)(C)C)CCCNC(=O)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide?
The InChIKey is QHCXJRHMSVNPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O2/c1-20(2,3)22(7,8)18(27)24-14-12-16-26(11)17-13-15-25-19(28)23(9,10)21(4,5)6/h12-17H2,1-11H3,(H,24,27)(H,25,28).
What are the key properties of 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide?
2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide has a molecular weight of 397.65 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide is sourced from PubChem (CID 20759278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).