N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide

C14H23N3O2 — CID 126430718

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
SMILESCCc1nccn1CCCNC(=O)C[C@@H]1CCOC1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-6-8-17(13)7-3-5-16-14(18)10-12-4-9-19-11-12/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyTVNNQDKLCDBMIL-LBPRGKRZSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds7

About N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide

N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide (PubChem CID 126430718) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
PubChem CID126430718
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
SMILESCCc1nccn1CCCNC(=O)C[C@@H]1CCOC1
InChIInChI=1S/C14H23N3O2/c1-2-13-15-6-8-17(13)7-3-5-16-14(18)10-12-4-9-19-11-12/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyTVNNQDKLCDBMIL-LBPRGKRZSA-N
XLogP1.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}tetrahydrofuran-3-carboxamide
CID 56745511
3-(1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidine
CID 70735836
7-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72862931
2-methyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 91785623
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
CID 95765543
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 97345872
3-(2-ethylimidazol-1-yl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 129619683
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 164629507
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 164639534
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 128994597
3,3-difluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]butanamide
CID 131961016
2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 136581055

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide (CID 126430718) is N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide is CCc1nccn1CCCNC(=O)C[C@@H]1CCOC1.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide?
The InChIKey is TVNNQDKLCDBMIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-13-15-6-8-17(13)7-3-5-16-14(18)10-12-4-9-19-11-12/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide is sourced from PubChem (CID 126430718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).