N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide

C9H15N3O — CID 56994189

IUPACN,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(CCC(=O)N(C)C)[nH]1
InChIInChI=1S/C9H15N3O/c1-7-6-10-8(11-7)4-5-9(13)12(2)3/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyDOZFDPNYYYXODH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.74
Rot. Bonds3

About N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide

N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide (PubChem CID 56994189) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide
PubChem CID56994189
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(CCC(=O)N(C)C)[nH]1
InChIInChI=1S/C9H15N3O/c1-7-6-10-8(11-7)4-5-9(13)12(2)3/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyDOZFDPNYYYXODH-UHFFFAOYSA-N
XLogP0.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide (CID 56994189) is N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide is Cc1cnc(CCC(=O)N(C)C)[nH]1.
What is the InChIKey of N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The InChIKey is DOZFDPNYYYXODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-6-10-8(11-7)4-5-9(13)12(2)3/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide?
N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 56994189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).