N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide

C14H23N3O2 — CID 91914897

IUPACN-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCc1nccn1CC(=O)N(C)CC1(C)CCOCC1
InChIInChI=1S/C14H23N3O2/c1-12-15-6-7-17(12)10-13(18)16(3)11-14(2)4-8-19-9-5-14/h6-7H,4-5,8-11H2,1-3H3
InChIKeyGPLBDROOVYSCKG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds4

About N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide

N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide (PubChem CID 91914897) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
PubChem CID91914897
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCc1nccn1CC(=O)N(C)CC1(C)CCOCC1
InChIInChI=1S/C14H23N3O2/c1-12-15-6-7-17(12)10-13(18)16(3)11-14(2)4-8-19-9-5-14/h6-7H,4-5,8-11H2,1-3H3
InChIKeyGPLBDROOVYSCKG-UHFFFAOYSA-N
XLogP1.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
2-(2-isopropyl-1H-imidazol-1-yl)-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 72858484
7-[(1-Methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97399390
[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197507
(1R*,3S*)-7-[(2-ethyl-1H-imidazol-1-yl)acetyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72890478
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197184
(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone
CID 110197967
2-[4-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]-N,N-dimethylacetamide
CID 70772812
4-(1-ethyl-1H-imidazol-2-yl)-1-(3-methoxypropanoyl)piperidine
CID 72911298
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 77096923
2-(2-ethylimidazol-1-yl)-1-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]ethanone
CID 97135370
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-2-yl)carbonyl]piperidine
CID 118763011

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide (CID 91914897) is N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide is Cc1nccn1CC(=O)N(C)CC1(C)CCOCC1.
What is the InChIKey of N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The InChIKey is GPLBDROOVYSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-15-6-7-17(12)10-13(18)16(3)11-14(2)4-8-19-9-5-14/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylimidazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 91914897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).