3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide

C13H24N4O — CID 91837682

IUPAC3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCCn1ccnc1CN(C)CCC(=O)NC(C)C
InChIInChI=1S/C13H24N4O/c1-5-17-9-7-14-12(17)10-16(4)8-6-13(18)15-11(2)3/h7,9,11H,5-6,8,10H2,1-4H3,(H,15,18)
InChIKeyVINVPFXDJOHKIZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.25
Rot. Bonds7

About 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide

3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide (PubChem CID 91837682) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide
PubChem CID91837682
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCCn1ccnc1CN(C)CCC(=O)NC(C)C
InChIInChI=1S/C13H24N4O/c1-5-17-9-7-14-12(17)10-16(4)8-6-13(18)15-11(2)3/h7,9,11H,5-6,8,10H2,1-4H3,(H,15,18)
InChIKeyVINVPFXDJOHKIZ-UHFFFAOYSA-N
XLogP1.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide (CID 91837682) is 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide is CCn1ccnc1CN(C)CCC(=O)NC(C)C.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is VINVPFXDJOHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-17-9-7-14-12(17)10-16(4)8-6-13(18)15-11(2)3/h7,9,11H,5-6,8,10H2,1-4H3,(H,15,18).
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide?
3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 91837682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).