3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid

C18H20N2O5 — CID 119250065

IUPAC3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-18(2,17(23)24)11-19-15(21)12-7-4-5-8-13(12)20(3)16(22)14-9-6-10-25-14/h4-10H,11H2,1-3H3,(H,19,21)(H,23,24)
InChIKeySEAGESCELKTWMK-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.40
Rot. Bonds6

About 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid

3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119250065) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119250065
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-18(2,17(23)24)11-19-15(21)12-7-4-5-8-13(12)20(3)16(22)14-9-6-10-25-14/h4-10H,11H2,1-3H3,(H,19,21)(H,23,24)
InChIKeySEAGESCELKTWMK-UHFFFAOYSA-N
XLogP2.40
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 119643351
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 120653478
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 120947205
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
CID 119428571
N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120602161
3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 106683586
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119624931
5-bromo-N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55981246
N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide
CID 119418147
5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4683297

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid (CID 119250065) is 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid is CN(C(=O)c1ccco1)c1ccccc1C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is SEAGESCELKTWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-18(2,17(23)24)11-19-15(21)12-7-4-5-8-13(12)20(3)16(22)14-9-6-10-25-14/h4-10H,11H2,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119250065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).