N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide

C13H25N3O2 — CID 174253151

IUPACN-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide
SMILESC=C(CNC(=O)CNC(C)C)NCC(=O)C(C)C
InChIInChI=1S/C13H25N3O2/c1-9(2)12(17)7-15-11(5)6-16-13(18)8-14-10(3)4/h9-10,14-15H,5-8H2,1-4H3,(H,16,18)
InChIKeyHYGMAIWHXMXTJT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.43
Rot. Bonds9

About N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide

N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide (PubChem CID 174253151) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide
PubChem CID174253151
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide
SMILESC=C(CNC(=O)CNC(C)C)NCC(=O)C(C)C
InChIInChI=1S/C13H25N3O2/c1-9(2)12(17)7-15-11(5)6-16-13(18)8-14-10(3)4/h9-10,14-15H,5-8H2,1-4H3,(H,16,18)
InChIKeyHYGMAIWHXMXTJT-UHFFFAOYSA-N
XLogP0.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide (CID 174253151) is N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide is C=C(CNC(=O)CNC(C)C)NCC(=O)C(C)C.
What is the InChIKey of N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is HYGMAIWHXMXTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)12(17)7-15-11(5)6-16-13(18)8-14-10(3)4/h9-10,14-15H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide?
N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-oxobutyl)amino]prop-2-enyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 174253151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).