N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide

C19H20N4O4 — CID 55651773

IUPACN-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)CNC(=O)c1ccoc1)c1nccn1C
InChIInChI=1S/C19H20N4O4/c1-23-9-8-20-18(23)17(14-5-3-4-6-15(14)26-2)22-16(24)11-21-19(25)13-7-10-27-12-13/h3-10,12,17H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyDJNOLUIQPXZKIB-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.66
Rot. Bonds7

About N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide

N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55651773) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID55651773
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)CNC(=O)c1ccoc1)c1nccn1C
InChIInChI=1S/C19H20N4O4/c1-23-9-8-20-18(23)17(14-5-3-4-6-15(14)26-2)22-16(24)11-21-19(25)13-7-10-27-12-13/h3-10,12,17H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyDJNOLUIQPXZKIB-UHFFFAOYSA-N
XLogP1.66
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 24660525
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide (CID 55651773) is N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide is COc1ccccc1C(NC(=O)CNC(=O)c1ccoc1)c1nccn1C.
What is the InChIKey of N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is DJNOLUIQPXZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-23-9-8-20-18(23)17(14-5-3-4-6-15(14)26-2)22-16(24)11-21-19(25)13-7-10-27-12-13/h3-10,12,17H,11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55651773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).