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

C13H21N3O2 — CID 63939449

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCC1CCCCO1
InChIInChI=1S/C13H21N3O2/c1-16(10-12-14-7-8-15-12)13(17)6-5-11-4-2-3-9-18-11/h7-8,11H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyIZSVBJOLWQRBST-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.72
Rot. Bonds5

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

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide (PubChem CID 63939449) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide
PubChem CID63939449
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCC1CCCCO1
InChIInChI=1S/C13H21N3O2/c1-16(10-12-14-7-8-15-12)13(17)6-5-11-4-2-3-9-18-11/h7-8,11H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyIZSVBJOLWQRBST-UHFFFAOYSA-N
XLogP1.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide (CID 63939449) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide is CN(Cc1ncc[nH]1)C(=O)CCC1CCCCO1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide?
The InChIKey is IZSVBJOLWQRBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(10-12-14-7-8-15-12)13(17)6-5-11-4-2-3-9-18-11/h7-8,11H,2-6,9-10H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(oxan-2-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.72, 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-(oxan-2-yl)propanamide is sourced from PubChem (CID 63939449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).