N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide

C16H33N3O — CID 126701045

IUPACN-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide
SMILESC=C(CCN(C)CCC(=O)NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C16H33N3O/c1-13(17-15(2,3)4)9-11-19(8)12-10-14(20)18-16(5,6)7/h17H,1,9-12H2,2-8H3,(H,18,20)
InChIKeyCDRIKNDGEDVFAL-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.51
Rot. Bonds7

About N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide

N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide (PubChem CID 126701045) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide
PubChem CID126701045
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide
SMILESC=C(CCN(C)CCC(=O)NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C16H33N3O/c1-13(17-15(2,3)4)9-11-19(8)12-10-14(20)18-16(5,6)7/h17H,1,9-12H2,2-8H3,(H,18,20)
InChIKeyCDRIKNDGEDVFAL-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide (CID 126701045) is N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide is C=C(CCN(C)CCC(=O)NC(C)(C)C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide?
The InChIKey is CDRIKNDGEDVFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(17-15(2,3)4)9-11-19(8)12-10-14(20)18-16(5,6)7/h17H,1,9-12H2,2-8H3,(H,18,20).
What are the key properties of N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide?
N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide has a molecular weight of 283.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide is sourced from PubChem (CID 126701045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).