5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C20H22N2O5 — CID 120820922

IUPAC5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1C(=O)O
InChIInChI=1S/C20H22N2O5/c1-2-16-15(20(25)26)10-17(27-16)19(24)21-11-12-5-3-8-14(9-12)22-18(23)13-6-4-7-13/h3,5,8-10,13H,2,4,6-7,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyVUVAFPDBJYXEDD-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.21
Rot. Bonds7

About 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120820922) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120820922
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1C(=O)O
InChIInChI=1S/C20H22N2O5/c1-2-16-15(20(25)26)10-17(27-16)19(24)21-11-12-5-3-8-14(9-12)22-18(23)13-6-4-7-13/h3,5,8-10,13H,2,4,6-7,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyVUVAFPDBJYXEDD-UHFFFAOYSA-N
XLogP3.21
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055351
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335548
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[3-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111957603
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120820922) is 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1C(=O)O.
What is the InChIKey of 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is VUVAFPDBJYXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-16-15(20(25)26)10-17(27-16)19(24)21-11-12-5-3-8-14(9-12)22-18(23)13-6-4-7-13/h3,5,8-10,13H,2,4,6-7,11H2,1H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120820922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).