2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate

C17H17N2O5- — CID 4158153

IUPAC2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-10(2)14(17(22)23)19-15(20)11-6-3-4-7-12(11)18-16(21)13-8-5-9-24-13/h3-10,14H,1-2H3,(H,18,21)(H,19,20)(H,22,23)/p-1
InChIKeyOZWZHLMZGHMSJE-UHFFFAOYSA-M
MW329.33 g/mol
LogP1.04
Rot. Bonds6

About 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate

2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate (PubChem CID 4158153) has the molecular formula C17H17N2O5- and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
PubChem CID4158153
Molecular FormulaC17H17N2O5-
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-10(2)14(17(22)23)19-15(20)11-6-3-4-7-12(11)18-16(21)13-8-5-9-24-13/h3-10,14H,1-2H3,(H,18,21)(H,19,20)(H,22,23)/p-1
InChIKeyOZWZHLMZGHMSJE-UHFFFAOYSA-M
XLogP1.04
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanedioate
CID 7760340
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6982398

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate?
The IUPAC name of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate (CID 4158153) is 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate.
What is the SMILES notation for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate?
The canonical SMILES for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate is CC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-].
What is the InChIKey of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate?
The InChIKey is OZWZHLMZGHMSJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N2O5/c1-10(2)14(17(22)23)19-15(20)11-6-3-4-7-12(11)18-16(21)13-8-5-9-24-13/h3-10,14H,1-2H3,(H,18,21)(H,19,20)(H,22,23)/p-1.
What are the key properties of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate?
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate has a molecular weight of 329.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate is sourced from PubChem (CID 4158153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).