2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide

C15H28N4O — CID 64704254

IUPAC2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)n1ccnc1C(C)C)C(N)=O
InChIInChI=1S/C15H28N4O/c1-6-7-18-15(5,14(16)20)10-12(4)19-9-8-17-13(19)11(2)3/h8-9,11-12,18H,6-7,10H2,1-5H3,(H2,16,20)
InChIKeyLDHUWHZETFYFNS-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.20
Rot. Bonds8

About 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide

2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide (PubChem CID 64704254) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
PubChem CID64704254
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)n1ccnc1C(C)C)C(N)=O
InChIInChI=1S/C15H28N4O/c1-6-7-18-15(5,14(16)20)10-12(4)19-9-8-17-13(19)11(2)3/h8-9,11-12,18H,6-7,10H2,1-5H3,(H2,16,20)
InChIKeyLDHUWHZETFYFNS-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704256
ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704252
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 64703758
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
4-(2-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 64727643
2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide (CID 64704254) is 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide is CCCNC(C)(CC(C)n1ccnc1C(C)C)C(N)=O.
What is the InChIKey of 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide?
The InChIKey is LDHUWHZETFYFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-7-18-15(5,14(16)20)10-12(4)19-9-8-17-13(19)11(2)3/h8-9,11-12,18H,6-7,10H2,1-5H3,(H2,16,20).
What are the key properties of 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide?
2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide has a molecular weight of 280.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide is sourced from PubChem (CID 64704254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).