3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide

C18H23N3O2 — CID 124625525

IUPAC3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide
SMILESCn1cncc1CCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-21-13-19-12-15(21)9-10-17(22)20-18(16-8-5-11-23-16)14-6-3-2-4-7-14/h2-4,6-7,12-13,16,18H,5,8-11H2,1H3,(H,20,22)/t16-,18-/m1/s1
InChIKeyQZJHKXGVICUTSZ-SJLPKXTDSA-N
MW313.40 g/mol
LogP2.39
Rot. Bonds6

About 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide

3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide (PubChem CID 124625525) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide
PubChem CID124625525
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide
SMILESCn1cncc1CCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-21-13-19-12-15(21)9-10-17(22)20-18(16-8-5-11-23-16)14-6-3-2-4-7-14/h2-4,6-7,12-13,16,18H,5,8-11H2,1H3,(H,20,22)/t16-,18-/m1/s1
InChIKeyQZJHKXGVICUTSZ-SJLPKXTDSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]urea
CID 125136365
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide
CID 97250740
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 160908806
2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124606330

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide?
The IUPAC name of 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide (CID 124625525) is 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide is Cn1cncc1CCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide?
The InChIKey is QZJHKXGVICUTSZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21-13-19-12-15(21)9-10-17(22)20-18(16-8-5-11-23-16)14-6-3-2-4-7-14/h2-4,6-7,12-13,16,18H,5,8-11H2,1H3,(H,20,22)/t16-,18-/m1/s1.
What are the key properties of 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide?
3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide is sourced from PubChem (CID 124625525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).