3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid

C18H20N2O5 — CID 120523094

IUPAC3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid
SMILESCCc1oc(C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)cc1C
InChIInChI=1S/C18H20N2O5/c1-3-14-11(2)10-15(25-14)18(24)20-13-6-4-12(5-7-13)17(23)19-9-8-16(21)22/h4-7,10H,3,8-9H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyGXZJZLKKMVMDNI-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.61
Rot. Bonds7

About 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid

3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid (PubChem CID 120523094) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid
PubChem CID120523094
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid
SMILESCCc1oc(C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)cc1C
InChIInChI=1S/C18H20N2O5/c1-3-14-11(2)10-15(25-14)18(24)20-13-6-4-12(5-7-13)17(23)19-9-8-16(21)22/h4-7,10H,3,8-9H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyGXZJZLKKMVMDNI-UHFFFAOYSA-N
XLogP2.61
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-4-methylbenzoic acid
CID 120522327
4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid
CID 120512985
2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 120531950
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N,5-diethyl-4-methylfuran-2-carboxamide
CID 130645001
3-[[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222870
N-(3-amino-4-methoxyphenyl)-5-ethyl-4-methylfuran-2-carboxamide
CID 119419552
3-[[4-(carbamothioylamino)benzoyl]amino]propanoic acid
CID 169356062
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-5-methylsulfonylbenzoic acid
CID 120529439
N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
CID 167972284
3-[[4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222856
3-[[4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108802578

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid (CID 120523094) is 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid is CCc1oc(C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)cc1C.
What is the InChIKey of 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid?
The InChIKey is GXZJZLKKMVMDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-14-11(2)10-15(25-14)18(24)20-13-6-4-12(5-7-13)17(23)19-9-8-16(21)22/h4-7,10H,3,8-9H2,1-2H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid?
3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 120523094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).