N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide

C15H28N4O2 — CID 54053573

IUPACN-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide
SMILESCCN(C)C(C)C(=O)N(C)C(C)C(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C15H28N4O2/c1-9-17(6)11(2)13(20)18(7)12(3)14(21)19(8)15(4,5)10-16/h11-12H,9H2,1-8H3
InChIKeyLUQGKAKLXKPQGZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.93
Rot. Bonds6

About N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide

N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide (PubChem CID 54053573) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide
PubChem CID54053573
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide
SMILESCCN(C)C(C)C(=O)N(C)C(C)C(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C15H28N4O2/c1-9-17(6)11(2)13(20)18(7)12(3)14(21)19(8)15(4,5)10-16/h11-12H,9H2,1-8H3
InChIKeyLUQGKAKLXKPQGZ-UHFFFAOYSA-N
XLogP0.93
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide?
The IUPAC name of N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide (CID 54053573) is N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide?
The canonical SMILES for N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide is CCN(C)C(C)C(=O)N(C)C(C)C(=O)N(C)C(C)(C)C#N.
What is the InChIKey of N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide?
The InChIKey is LUQGKAKLXKPQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-9-17(6)11(2)13(20)18(7)12(3)14(21)19(8)15(4,5)10-16/h11-12H,9H2,1-8H3.
What are the key properties of N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide?
N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide has a molecular weight of 296.42 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-cyanopropan-2-yl(methyl)amino]-1-oxopropan-2-yl]-2-[ethyl(methyl)amino]-N-methylpropanamide is sourced from PubChem (CID 54053573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).