carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine

C22H27N2O3Os — CID 163379705

IUPACcarbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
SMILESC1CCNC1.Cc1oc2ccc(OCc3ccccc3)cc2c1C(N)=O.[CH3-].[Os+]
InChIInChI=1S/C17H15NO3.C4H9N.CH3.Os/c1-11-16(17(18)19)14-9-13(7-8-15(14)21-11)20-10-12-5-3-2-4-6-12;1-2-4-5-3-1;;/h2-9H,10H2,1H3,(H2,18,19);5H,1-4H2;1H3;/q;;-1;+1
InChIKeyMWJRLQQZCIPBFL-UHFFFAOYSA-N
MW557.70 g/mol
LogP4.24
Rot. Bonds4

About carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine

carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine (PubChem CID 163379705) has the molecular formula C22H27N2O3Os and a molecular weight of 557.70 g/mol. Its IUPAC name is carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine.

Molecular Properties

Compound Namecarbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
PubChem CID163379705
Molecular FormulaC22H27N2O3Os
Molecular Weight557.70 g/mol
Exact Mass559.16
IUPAC Namecarbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
SMILESC1CCNC1.Cc1oc2ccc(OCc3ccccc3)cc2c1C(N)=O.[CH3-].[Os+]
InChIInChI=1S/C17H15NO3.C4H9N.CH3.Os/c1-11-16(17(18)19)14-9-13(7-8-15(14)21-11)20-10-12-5-3-2-4-6-12;1-2-4-5-3-1;;/h2-9H,10H2,1H3,(H2,18,19);5H,1-4H2;1H3;/q;;-1;+1
InChIKeyMWJRLQQZCIPBFL-UHFFFAOYSA-N
XLogP4.24
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.70
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379260
[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379777
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719
5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine?
The IUPAC name of carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine (CID 163379705) is carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine.
What is the SMILES notation for carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine?
The canonical SMILES for carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine is C1CCNC1.Cc1oc2ccc(OCc3ccccc3)cc2c1C(N)=O.[CH3-].[Os+].
What is the InChIKey of carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine?
The InChIKey is MWJRLQQZCIPBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.C4H9N.CH3.Os/c1-11-16(17(18)19)14-9-13(7-8-15(14)21-11)20-10-12-5-3-2-4-6-12;1-2-4-5-3-1;;/h2-9H,10H2,1H3,(H2,18,19);5H,1-4H2;1H3;/q;;-1;+1.
What are the key properties of carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine?
carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine has a molecular weight of 557.70 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine is sourced from PubChem (CID 163379705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).