5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid

C14H21NO4 — CID 102907539

IUPAC5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
SMILESCC(C)C(CNC(=O)c1ccc(C(=O)O)o1)C(C)C
InChIInChI=1S/C14H21NO4/c1-8(2)10(9(3)4)7-15-13(16)11-5-6-12(19-11)14(17)18/h5-6,8-10H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyFGBGTNXPWNIPRP-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.64
Rot. Bonds6

About 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid

5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid (PubChem CID 102907539) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
PubChem CID102907539
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
SMILESCC(C)C(CNC(=O)c1ccc(C(=O)O)o1)C(C)C
InChIInChI=1S/C14H21NO4/c1-8(2)10(9(3)4)7-15-13(16)11-5-6-12(19-11)14(17)18/h5-6,8-10H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyFGBGTNXPWNIPRP-UHFFFAOYSA-N
XLogP2.64
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid
CID 102903651
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-amino-N-(2-methylpropyl)furan-2-carboxamide
CID 82344095
5-[(2-methoxy-2-methylpropyl)carbamoyl]furan-2-carboxylic acid
CID 104764741
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
furan-2,5-dicarboxylic acid;indigane
CID 174700126
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid
CID 106223158

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid (CID 102907539) is 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid is CC(C)C(CNC(=O)c1ccc(C(=O)O)o1)C(C)C.
What is the InChIKey of 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid?
The InChIKey is FGBGTNXPWNIPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-8(2)10(9(3)4)7-15-13(16)11-5-6-12(19-11)14(17)18/h5-6,8-10H,7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid?
5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 102907539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).