N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide

C12H19N3O — CID 70898380

IUPACN-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
SMILESCCc1cn(CC(=O)NCC2CC2)c(C)n1
InChIInChI=1S/C12H19N3O/c1-3-11-7-15(9(2)14-11)8-12(16)13-6-10-4-5-10/h7,10H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyAHUDAPCBLPBNHW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.28
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide

N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide (PubChem CID 70898380) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
PubChem CID70898380
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
SMILESCCc1cn(CC(=O)NCC2CC2)c(C)n1
InChIInChI=1S/C12H19N3O/c1-3-11-7-15(9(2)14-11)8-12(16)13-6-10-4-5-10/h7,10H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyAHUDAPCBLPBNHW-UHFFFAOYSA-N
XLogP1.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide (CID 70898380) is N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide is CCc1cn(CC(=O)NCC2CC2)c(C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The InChIKey is AHUDAPCBLPBNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-11-7-15(9(2)14-11)8-12(16)13-6-10-4-5-10/h7,10H,3-6,8H2,1-2H3,(H,13,16).
What are the key properties of N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide?
N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 70898380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).