ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide

C12H21N3O — CID 176952178

IUPACethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide
SMILESCC.CN(Cc1cnc[nH]1)C(=O)C1CCC1
InChIInChI=1S/C10H15N3O.C2H6/c1-13(6-9-5-11-7-12-9)10(14)8-3-2-4-8;1-2/h5,7-8H,2-4,6H2,1H3,(H,11,12);1-2H3
InChIKeyBEBQJCKYPQPHME-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.19
Rot. Bonds3

About ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide

ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide (PubChem CID 176952178) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound Nameethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide
PubChem CID176952178
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide
SMILESCC.CN(Cc1cnc[nH]1)C(=O)C1CCC1
InChIInChI=1S/C10H15N3O.C2H6/c1-13(6-9-5-11-7-12-9)10(14)8-3-2-4-8;1-2/h5,7-8H,2-4,6H2,1H3,(H,11,12);1-2H3
InChIKeyBEBQJCKYPQPHME-UHFFFAOYSA-N
XLogP2.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide?
The IUPAC name of ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide (CID 176952178) is ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide is CC.CN(Cc1cnc[nH]1)C(=O)C1CCC1.
What is the InChIKey of ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide?
The InChIKey is BEBQJCKYPQPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-13(6-9-5-11-7-12-9)10(14)8-3-2-4-8;1-2/h5,7-8H,2-4,6H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide?
ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 176952178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).