N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide

C12H19N3O2 — CID 63929941

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCC1CCCO1
InChIInChI=1S/C12H19N3O2/c1-15(9-11-13-6-7-14-11)12(16)5-4-10-3-2-8-17-10/h6-7,10H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyJMKFLMISLJWDBC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.33
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide (PubChem CID 63929941) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide
PubChem CID63929941
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCC1CCCO1
InChIInChI=1S/C12H19N3O2/c1-15(9-11-13-6-7-14-11)12(16)5-4-10-3-2-8-17-10/h6-7,10H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyJMKFLMISLJWDBC-UHFFFAOYSA-N
XLogP1.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 84587791
N-[(1-methylimidazol-2-yl)methyl]-2-(oxan-2-yl)acetamide
CID 110226385
methyl 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylate
CID 75499270
N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide
CID 114826329
ethyl 7-(1H-imidazol-3-ium-3-yl)heptanoate
CID 154702619
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 128993031
(1H-imidazol-2-ylmethyl)methyl[3-(tetrahydrofuran-2-yl)propyl]amine
CID 50981937
ethyl 7-(1H-imidazol-2-yl)heptanoate
CID 53847465
1-(1H-imidazol-1-yl)-3-(tetrahydrofuran-2-yl)propan-1-one
CID 59333745
N-[3-(1H-imidazol-2-yl)propyl]octanamide
CID 70046300
2-methylpropyl 7-(1H-imidazol-2-yl)heptanoate
CID 144617641
potassium;8-heptadecan-9-yloxy-8-oxooctan-1-olate;undecyl 6-[3-[2-(1H-imidazole-2-carbonylamino)ethoxy]pyrrolidin-1-yl]hexanoate
CID 171562606

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide (CID 63929941) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide is CN(Cc1ncc[nH]1)C(=O)CCC1CCCO1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide?
The InChIKey is JMKFLMISLJWDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(9-11-13-6-7-14-11)12(16)5-4-10-3-2-8-17-10/h6-7,10H,2-5,8-9H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 63929941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).