N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide

C16H34N4O2 — CID 57228760

IUPACN-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCCNNCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H34N4O2/c1-15(2,3)13(21)17-9-7-8-10-19-20-12-11-18-14(22)16(4,5)6/h19-20H,7-12H2,1-6H3,(H,17,21)(H,18,22)
InChIKeyCVQXAXXYFWURSM-UHFFFAOYSA-N
MW314.47 g/mol
LogP1.19
Rot. Bonds9

About N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide

N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide (PubChem CID 57228760) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide
PubChem CID57228760
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC NameN-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCCNNCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H34N4O2/c1-15(2,3)13(21)17-9-7-8-10-19-20-12-11-18-14(22)16(4,5)6/h19-20H,7-12H2,1-6H3,(H,17,21)(H,18,22)
InChIKeyCVQXAXXYFWURSM-UHFFFAOYSA-N
XLogP1.19
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydrazinecarbonyl)propyl]-2,2-dimethylpropanamide
CID 43132144
N-[5-[2-(5-acetamidopentyl)hydrazinyl]pentyl]butanamide
CID 57022282
N-[2-[[2-(2-acetylhydrazinyl)acetyl]amino]ethyl]propanamide
CID 89292857
4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide
CID 90767809
ethane;N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide
CID 142382398
N-[2-[(2-hydrazinylacetyl)amino]ethyl]propanamide
CID 142382399
N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide
CID 145289163
4-(2-ethylhydrazinyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide
CID 166485818
N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide
CID 167513233
ethane;3-[2-[[3-(2-hydrazinylethylamino)-3-oxopropyl]-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
CID 168165821
2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide
CID 142152410
3-[2-[[3-(2-hydrazinylethylamino)-3-oxopropyl]-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(methylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(methylamino)ethyl]propanamide
CID 168165822

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide (CID 57228760) is N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCCNNCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide?
The InChIKey is CVQXAXXYFWURSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-15(2,3)13(21)17-9-7-8-10-19-20-12-11-18-14(22)16(4,5)6/h19-20H,7-12H2,1-6H3,(H,17,21)(H,18,22).
What are the key properties of N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide?
N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide has a molecular weight of 314.47 g/mol, XLogP of 1.19, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 57228760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).