N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide

C16H17N3O2 — CID 115742778

IUPACN-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1C
InChIInChI=1S/C16H17N3O2/c1-3-16(20)19-15-6-4-5-14(11(15)2)18-10-13-8-7-12(9-17)21-13/h4-8,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyDPIMCWPYYOHSLA-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.42
Rot. Bonds5

About N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide

N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide (PubChem CID 115742778) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide
PubChem CID115742778
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1C
InChIInChI=1S/C16H17N3O2/c1-3-16(20)19-15-6-4-5-14(11(15)2)18-10-13-8-7-12(9-17)21-13/h4-8,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyDPIMCWPYYOHSLA-UHFFFAOYSA-N
XLogP3.42
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
CID 43426599
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
5-[(2-bromo-3-chloroanilino)methyl]furan-2-carbonitrile
CID 103478709
5-[[2-(ethoxymethyl)anilino]methyl]furan-2-carbonitrile
CID 115671175
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 32974983
N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
CID 55109216
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
N-[3-[[2-(dipropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54818982

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide (CID 115742778) is N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1C.
What is the InChIKey of N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide?
The InChIKey is DPIMCWPYYOHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-16(20)19-15-6-4-5-14(11(15)2)18-10-13-8-7-12(9-17)21-13/h4-8,18H,3,10H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide?
N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide has a molecular weight of 283.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide is sourced from PubChem (CID 115742778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).