2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide

C16H17N3O2 — CID 60918229

IUPAC2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCc1cccc(C#N)c1)C(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O2/c1-12(16(20)19-11-15-6-3-7-21-15)18-10-14-5-2-4-13(8-14)9-17/h2-8,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyZDEXYMCEJQSACK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.95
Rot. Bonds6

About 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide

2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 60918229) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID60918229
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCc1cccc(C#N)c1)C(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O2/c1-12(16(20)19-11-15-6-3-7-21-15)18-10-14-5-2-4-13(8-14)9-17/h2-8,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyZDEXYMCEJQSACK-UHFFFAOYSA-N
XLogP1.95
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129027
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
CID 43401833
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide
CID 122143368
N-[(3-cyanophenyl)methyl]-2-sulfanylpropanamide
CID 107028199
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide (CID 60918229) is 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide is CC(NCc1cccc(C#N)c1)C(=O)NCc1ccco1.
What is the InChIKey of 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is ZDEXYMCEJQSACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(16(20)19-11-15-6-3-7-21-15)18-10-14-5-2-4-13(8-14)9-17/h2-8,12,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 283.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 60918229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).