2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide

C19H22N4O2 — CID 129350445

IUPAC2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide
SMILESCn1cncc1[C@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)CCO1
InChIInChI=1S/C19H22N4O2/c1-22-13-20-11-17(22)18-10-15(7-9-25-18)21-19(24)12-23-8-6-14-4-2-3-5-16(14)23/h2-6,8,11,13,15,18H,7,9-10,12H2,1H3,(H,21,24)/t15-,18+/m0/s1
InChIKeyAOFCTFLJRXQFQL-MAUKXSAKSA-N
MW338.41 g/mol
LogP2.41
Rot. Bonds4

About 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide

2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide (PubChem CID 129350445) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide
PubChem CID129350445
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide
SMILESCn1cncc1[C@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)CCO1
InChIInChI=1S/C19H22N4O2/c1-22-13-20-11-17(22)18-10-15(7-9-25-18)21-19(24)12-23-8-6-14-4-2-3-5-16(14)23/h2-6,8,11,13,15,18H,7,9-10,12H2,1H3,(H,21,24)/t15-,18+/m0/s1
InChIKeyAOFCTFLJRXQFQL-MAUKXSAKSA-N
XLogP2.41
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
CID 128994960
1-[(2-fluorophenyl)methyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129472375
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
2-(dimethylamino)-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pentanamide
CID 154739480
(2S,4S)-4-[(2-indol-1-ylacetyl)amino]-1-methylpyrrolidine-2-carboxylic acid
CID 91838216
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129476648
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide (CID 129350445) is 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide is Cn1cncc1[C@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)CCO1.
What is the InChIKey of 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide?
The InChIKey is AOFCTFLJRXQFQL-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-13-20-11-17(22)18-10-15(7-9-25-18)21-19(24)12-23-8-6-14-4-2-3-5-16(14)23/h2-6,8,11,13,15,18H,7,9-10,12H2,1H3,(H,21,24)/t15-,18+/m0/s1.
What are the key properties of 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide?
2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 129350445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).