N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide

C22H22N2O4 — CID 46461803

IUPACN-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cccc(COc2ccc(CNC(=O)CNC(=O)c3ccoc3)cc2)c1
InChIInChI=1S/C22H22N2O4/c1-16-3-2-4-18(11-16)14-28-20-7-5-17(6-8-20)12-23-21(25)13-24-22(26)19-9-10-27-15-19/h2-11,15H,12-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyVTPMCASVCXKVHB-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.21
Rot. Bonds8

About N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide

N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 46461803) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
PubChem CID46461803
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cccc(COc2ccc(CNC(=O)CNC(=O)c3ccoc3)cc2)c1
InChIInChI=1S/C22H22N2O4/c1-16-3-2-4-18(11-16)14-28-20-7-5-17(6-8-20)12-23-21(25)13-24-22(26)19-9-10-27-15-19/h2-11,15H,12-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyVTPMCASVCXKVHB-UHFFFAOYSA-N
XLogP3.21
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide
CID 39970273
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
N-[2-[[3-(azepan-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 49086013
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
N-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 51130463
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
CID 46461382
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide (CID 46461803) is N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide is Cc1cccc(COc2ccc(CNC(=O)CNC(=O)c3ccoc3)cc2)c1.
What is the InChIKey of N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is VTPMCASVCXKVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-16-3-2-4-18(11-16)14-28-20-7-5-17(6-8-20)12-23-21(25)13-24-22(26)19-9-10-27-15-19/h2-11,15H,12-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 46461803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).