N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide

C18H22N2O4 — CID 26457203

IUPACN-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-13-5-6-15(23-2)14(12-13)7-9-19-17(21)8-10-20-18(22)16-4-3-11-24-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBNCZBIWBZWCQBF-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.08
Rot. Bonds8

About N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 26457203) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID26457203
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-13-5-6-15(23-2)14(12-13)7-9-19-17(21)8-10-20-18(22)16-4-3-11-24-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBNCZBIWBZWCQBF-UHFFFAOYSA-N
XLogP2.08
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 7629639
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41309194
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 38712022
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide (CID 26457203) is N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide is COc1ccc(C)cc1CCNC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is BNCZBIWBZWCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-5-6-15(23-2)14(12-13)7-9-19-17(21)8-10-20-18(22)16-4-3-11-24-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 26457203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).