ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium

C24H32N3O4U- — CID 163379362

IUPACethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
SMILESCCO.C[NH-].Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CCNC1.[U]
InChIInChI=1S/C21H22N2O3.C2H6O.CH4N.U/c1-14-20(21(24)23-16-9-10-22-12-16)18-11-17(7-8-19(18)26-14)25-13-15-5-3-2-4-6-15;1-2-3;1-2;/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,23,24);3H,2H2,1H3;2H,1H3;/q;;-1;
InChIKeyWPNIAQYIULMKMO-UHFFFAOYSA-N
MW664.57 g/mol
LogP4.08
Rot. Bonds5

About ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium

ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium (PubChem CID 163379362) has the molecular formula C24H32N3O4U- and a molecular weight of 664.57 g/mol. Its IUPAC name is ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium.

Molecular Properties

Compound Nameethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
PubChem CID163379362
Molecular FormulaC24H32N3O4U-
Molecular Weight664.57 g/mol
Exact Mass664.29
IUPAC Nameethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
SMILESCCO.C[NH-].Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CCNC1.[U]
InChIInChI=1S/C21H22N2O3.C2H6O.CH4N.U/c1-14-20(21(24)23-16-9-10-22-12-16)18-11-17(7-8-19(18)26-14)25-13-15-5-3-2-4-6-15;1-2-3;1-2;/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,23,24);3H,2H2,1H3;2H,1H3;/q;;-1;
InChIKeyWPNIAQYIULMKMO-UHFFFAOYSA-N
XLogP4.08
TPSA107.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.57
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-methyl-N-pyrrolidin-3-yl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxamide
CID 175486601
5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379508
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
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
5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379483
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
tert-butyl (5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163379519
tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379323
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602

Frequently Asked Questions

What is the IUPAC name of ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium?
The IUPAC name of ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium (CID 163379362) is ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium.
What is the SMILES notation for ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium?
The canonical SMILES for ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium is CCO.C[NH-].Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CCNC1.[U].
What is the InChIKey of ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium?
The InChIKey is WPNIAQYIULMKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.C2H6O.CH4N.U/c1-14-20(21(24)23-16-9-10-22-12-16)18-11-17(7-8-19(18)26-14)25-13-15-5-3-2-4-6-15;1-2-3;1-2;/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,23,24);3H,2H2,1H3;2H,1H3;/q;;-1;.
What are the key properties of ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium?
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium has a molecular weight of 664.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium is sourced from PubChem (CID 163379362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).