N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide

C14H23N3O2 — CID 56876509

IUPACN-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C14H23N3O2/c1-11(18)15-5-7-17-8-6-16-13(17)12-4-9-19-14(2,3)10-12/h6,8,12H,4-5,7,9-10H2,1-3H3,(H,15,18)
InChIKeyUGRXYBMVWLVLII-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds4

About N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide

N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide (PubChem CID 56876509) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide
PubChem CID56876509
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C14H23N3O2/c1-11(18)15-5-7-17-8-6-16-13(17)12-4-9-19-14(2,3)10-12/h6,8,12H,4-5,7,9-10H2,1-3H3,(H,15,18)
InChIKeyUGRXYBMVWLVLII-UHFFFAOYSA-N
XLogP1.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-isopropyl-1H-imidazol-1-yl)-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 72858484
(3R*,4R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72872719
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
1-[2-(1-Methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75451372
1,1-Dimethyl-3-[8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739795
3-(1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidine
CID 70735836
cis-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-3-hydroxycyclohexanecarboxamide
CID 91783565
cis-3-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]cyclohexanecarboxamide
CID 91788745
2-(2-ethyl-1H-imidazol-1-yl)-N-[1-(trans-3-hydroxycyclobutyl)propyl]acetamide
CID 91793853
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
CID 95765543
5-[2-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 96397989
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide
CID 125435961

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide (CID 56876509) is N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1ccnc1C1CCOC(C)(C)C1.
What is the InChIKey of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide?
The InChIKey is UGRXYBMVWLVLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(18)15-5-7-17-8-6-16-13(17)12-4-9-19-14(2,3)10-12/h6,8,12H,4-5,7,9-10H2,1-3H3,(H,15,18).
What are the key properties of N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide?
N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 56876509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).