N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide

C24H26N4O4 — CID 97010260

IUPACN'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide
SMILESCn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O4/c1-28-13-12-25-22(28)15-21(17-5-3-2-4-6-17)27-24(30)23(29)26-18-7-9-19(10-8-18)32-20-11-14-31-16-20/h2-10,12-13,20-21H,11,14-16H2,1H3,(H,26,29)(H,27,30)/t20-,21-/m1/s1
InChIKeyIBPYUSMTJVRHOF-NHCUHLMSSA-N
MW434.50 g/mol
LogP2.63
Rot. Bonds7

About N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide

N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide (PubChem CID 97010260) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide.

Molecular Properties

Compound NameN'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide
PubChem CID97010260
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide
SMILESCn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O4/c1-28-13-12-25-22(28)15-21(17-5-3-2-4-6-17)27-24(30)23(29)26-18-7-9-19(10-8-18)32-20-11-14-31-16-20/h2-10,12-13,20-21H,11,14-16H2,1H3,(H,26,29)(H,27,30)/t20-,21-/m1/s1
InChIKeyIBPYUSMTJVRHOF-NHCUHLMSSA-N
XLogP2.63
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-methyl-N-[4-[[2-[[2-(1-methylimidazol-2-yl)-1-phenylethyl]amino]-2-oxoacetyl]amino]phenyl]carbamate
CID 71869475
N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
CID 97218361
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
2-amino-N-[4-(oxolan-3-yloxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120593039
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951
(1R,2S,4S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201288
2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 71987373
4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95783170
2-(cyclopropylmethylamino)-N-[4-(oxolan-3-yloxy)phenyl]acetamide;hydrochloride
CID 119798675
2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
CID 120990540
3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95782251
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide?
The IUPAC name of N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide (CID 97010260) is N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide.
What is the SMILES notation for N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide?
The canonical SMILES for N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide is Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1.
What is the InChIKey of N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide?
The InChIKey is IBPYUSMTJVRHOF-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-28-13-12-25-22(28)15-21(17-5-3-2-4-6-17)27-24(30)23(29)26-18-7-9-19(10-8-18)32-20-11-14-31-16-20/h2-10,12-13,20-21H,11,14-16H2,1H3,(H,26,29)(H,27,30)/t20-,21-/m1/s1.
What are the key properties of N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide?
N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide has a molecular weight of 434.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-N-[4-[(3R)-oxolan-3-yl]oxyphenyl]oxamide is sourced from PubChem (CID 97010260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).