N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide

C23H25N3O3 — CID 86952312

IUPACN-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)NCc3cc(C)oc3C)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-7-9-19(10-8-15)22(27)26-21-6-4-5-18(12-21)13-24-23(28)25-14-20-11-16(2)29-17(20)3/h4-12H,13-14H2,1-3H3,(H,26,27)(H2,24,25,28)
InChIKeyYOMBEAGYPPKENP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.46
Rot. Bonds6

About N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide

N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide (PubChem CID 86952312) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide
PubChem CID86952312
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)NCc3cc(C)oc3C)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-7-9-19(10-8-15)22(27)26-21-6-4-5-18(12-21)13-24-23(28)25-14-20-11-16(2)29-17(20)3/h4-12H,13-14H2,1-3H3,(H,26,27)(H2,24,25,28)
InChIKeyYOMBEAGYPPKENP-UHFFFAOYSA-N
XLogP4.46
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
methyl 3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]benzoate
CID 84586835
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide
CID 17451164
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide (CID 86952312) is N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(CNC(=O)NCc3cc(C)oc3C)c2)cc1.
What is the InChIKey of N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide?
The InChIKey is YOMBEAGYPPKENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-7-9-19(10-8-15)22(27)26-21-6-4-5-18(12-21)13-24-23(28)25-14-20-11-16(2)29-17(20)3/h4-12H,13-14H2,1-3H3,(H,26,27)(H2,24,25,28).
What are the key properties of N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide?
N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 86952312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).