(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate

C17H19NO5 — CID 7629639

IUPAC(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc(C)cc1COC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C17H19NO5/c1-12-5-6-14(21-2)13(10-12)11-23-16(19)7-8-18-17(20)15-4-3-9-22-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyISOOZBNOLSNKRV-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.46
Rot. Bonds7

About (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate

(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate (PubChem CID 7629639) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
PubChem CID7629639
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc(C)cc1COC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C17H19NO5/c1-12-5-6-14(21-2)13(10-12)11-23-16(19)7-8-18-17(20)15-4-3-9-22-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyISOOZBNOLSNKRV-UHFFFAOYSA-N
XLogP2.46
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41309194
methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
CID 7909054
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271
(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
CID 43030744
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 4-(furan-2-carbonylamino)butanoate
CID 55458548
(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate (CID 7629639) is (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate is COc1ccc(C)cc1COC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate?
The InChIKey is ISOOZBNOLSNKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-12-5-6-14(21-2)13(10-12)11-23-16(19)7-8-18-17(20)15-4-3-9-22-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate?
(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate has a molecular weight of 317.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7629639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).