4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid

C19H21N3O6 — CID 52996641

IUPAC4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid
SMILESO=C(NCC(c1ccco1)N1CCOCC1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21N3O6/c23-17(18(24)21-14-5-3-13(4-6-14)19(25)26)20-12-15(16-2-1-9-28-16)22-7-10-27-11-8-22/h1-6,9,15H,7-8,10-12H2,(H,20,23)(H,21,24)(H,25,26)
InChIKeyIHQPFMGVUQRFMJ-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.11
Rot. Bonds6

About 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid

4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid (PubChem CID 52996641) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid
PubChem CID52996641
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid
SMILESO=C(NCC(c1ccco1)N1CCOCC1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21N3O6/c23-17(18(24)21-14-5-3-13(4-6-14)19(25)26)20-12-15(16-2-1-9-28-16)22-7-10-27-11-8-22/h1-6,9,15H,7-8,10-12H2,(H,20,23)(H,21,24)(H,25,26)
InChIKeyIHQPFMGVUQRFMJ-UHFFFAOYSA-N
XLogP1.11
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid with MolForge

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Related Compounds

N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 121036180
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217165
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217373
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217371
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 7217228
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621275
N-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid (CID 52996641) is 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid is O=C(NCC(c1ccco1)N1CCOCC1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid?
The InChIKey is IHQPFMGVUQRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c23-17(18(24)21-14-5-3-13(4-6-14)19(25)26)20-12-15(16-2-1-9-28-16)22-7-10-27-11-8-22/h1-6,9,15H,7-8,10-12H2,(H,20,23)(H,21,24)(H,25,26).
What are the key properties of 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid?
4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid has a molecular weight of 387.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoacetyl]amino]benzoic acid is sourced from PubChem (CID 52996641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).