3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid

C18H21NO4 — CID 120701392

IUPAC3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCCc1oc(C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1C
InChIInChI=1S/C18H21NO4/c1-4-14-12(2)10-15(23-14)16(20)19-11-18(3,17(21)22)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyLSHHOPDTWGREDB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.92
Rot. Bonds6

About 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid

3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701392) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701392
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCCc1oc(C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1C
InChIInChI=1S/C18H21NO4/c1-4-14-12(2)10-15(23-14)16(20)19-11-18(3,17(21)22)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyLSHHOPDTWGREDB-UHFFFAOYSA-N
XLogP2.92
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-diethyl-4-methylfuran-2-carboxamide
CID 130645001
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
5-[(2,2-dimethyl-3-phenylpropyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821950
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid
CID 120512985
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-4-methylbenzoic acid
CID 120522327
2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 154867048

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120701392) is 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is CCc1oc(C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1C.
What is the InChIKey of 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is LSHHOPDTWGREDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-14-12(2)10-15(23-14)16(20)19-11-18(3,17(21)22)13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).