ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate

C17H19NO4 — CID 4030511

IUPACethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4/c1-3-21-16(19)11-14(13-8-6-12(2)7-9-13)18-17(20)15-5-4-10-22-15/h4-10,14H,3,11H2,1-2H3,(H,18,20)
InChIKeyMUKXWNAQZLDEQT-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.01
Rot. Bonds6

About ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate

ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate (PubChem CID 4030511) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate
PubChem CID4030511
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4/c1-3-21-16(19)11-14(13-8-6-12(2)7-9-13)18-17(20)15-5-4-10-22-15/h4-10,14H,3,11H2,1-2H3,(H,18,20)
InChIKeyMUKXWNAQZLDEQT-UHFFFAOYSA-N
XLogP3.01
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate 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

A 317920
CID 10389213
4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
Furfurylamphetamine
CID 18116
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2998659
4-[5-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoic acid
CID 118225963
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate (CID 4030511) is ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate is CCOC(=O)CC(NC(=O)c1ccco1)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate?
The InChIKey is MUKXWNAQZLDEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-21-16(19)11-14(13-8-6-12(2)7-9-13)18-17(20)15-5-4-10-22-15/h4-10,14H,3,11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate?
ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate has a molecular weight of 301.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 4030511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).