N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide

C15H14N2O2 — CID 47161726

IUPACN-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
SMILESN#Cc1cccc(CNC(=O)CCc2ccco2)c1
InChIInChI=1S/C15H14N2O2/c16-10-12-3-1-4-13(9-12)11-17-15(18)7-6-14-5-2-8-19-14/h1-5,8-9H,6-7,11H2,(H,17,18)
InChIKeyRRYXEQUZHZYWCW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.40
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide

N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide (PubChem CID 47161726) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
PubChem CID47161726
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
SMILESN#Cc1cccc(CNC(=O)CCc2ccco2)c1
InChIInChI=1S/C15H14N2O2/c16-10-12-3-1-4-13(9-12)11-17-15(18)7-6-14-5-2-8-19-14/h1-5,8-9H,6-7,11H2,(H,17,18)
InChIKeyRRYXEQUZHZYWCW-UHFFFAOYSA-N
XLogP2.40
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 47161616
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide
CID 46470544
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide (CID 47161726) is N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide is N#Cc1cccc(CNC(=O)CCc2ccco2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide?
The InChIKey is RRYXEQUZHZYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-10-12-3-1-4-13(9-12)11-17-15(18)7-6-14-5-2-8-19-14/h1-5,8-9H,6-7,11H2,(H,17,18).
What are the key properties of N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide?
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide has a molecular weight of 254.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 47161726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).