2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide

C13H24N4O — CID 64704686

IUPAC2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
SMILESCc1nccn1C(C)CC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C13H24N4O/c1-9(2)16-13(5,12(14)18)8-10(3)17-7-6-15-11(17)4/h6-7,9-10,16H,8H2,1-5H3,(H2,14,18)
InChIKeyVPVVDPNUECBLSR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.38
Rot. Bonds6

About 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide

2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide (PubChem CID 64704686) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
PubChem CID64704686
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
SMILESCc1nccn1C(C)CC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C13H24N4O/c1-9(2)16-13(5,12(14)18)8-10(3)17-7-6-15-11(17)4/h6-7,9-10,16H,8H2,1-5H3,(H2,14,18)
InChIKeyVPVVDPNUECBLSR-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide?
The IUPAC name of 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide (CID 64704686) is 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide is Cc1nccn1C(C)CC(C)(NC(C)C)C(N)=O.
What is the InChIKey of 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide?
The InChIKey is VPVVDPNUECBLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)16-13(5,12(14)18)8-10(3)17-7-6-15-11(17)4/h6-7,9-10,16H,8H2,1-5H3,(H2,14,18).
What are the key properties of 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide?
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 64704686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).