2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide

C13H23N5O2 — CID 91783805

IUPAC2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide
SMILESCC(C)Cn1cncc1CNC(=O)CNC(=O)N(C)C
InChIInChI=1S/C13H23N5O2/c1-10(2)8-18-9-14-5-11(18)6-15-12(19)7-16-13(20)17(3)4/h5,9-10H,6-8H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyPVHDTPPFHVXPGC-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.43
Rot. Bonds6

About 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide

2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide (PubChem CID 91783805) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide
PubChem CID91783805
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide
SMILESCC(C)Cn1cncc1CNC(=O)CNC(=O)N(C)C
InChIInChI=1S/C13H23N5O2/c1-10(2)8-18-9-14-5-11(18)6-15-12(19)7-16-13(20)17(3)4/h5,9-10H,6-8H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyPVHDTPPFHVXPGC-UHFFFAOYSA-N
XLogP0.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide (CID 91783805) is 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide is CC(C)Cn1cncc1CNC(=O)CNC(=O)N(C)C.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide?
The InChIKey is PVHDTPPFHVXPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)8-18-9-14-5-11(18)6-15-12(19)7-16-13(20)17(3)4/h5,9-10H,6-8H2,1-4H3,(H,15,19)(H,16,20).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide?
2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide is sourced from PubChem (CID 91783805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).