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

C16H17N3O2 — CID 61422743

IUPACN-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)Cc1ccoc1
InChIInChI=1S/C16H17N3O2/c1-12(19(2)10-13-7-8-21-11-13)16(20)18-15-6-4-3-5-14(15)9-17/h3-8,11-12H,10H2,1-2H3,(H,18,20)
InChIKeyOKTDUMCOHPNUQH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.61
Rot. Bonds5

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

N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide (PubChem CID 61422743) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
PubChem CID61422743
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)Cc1ccoc1
InChIInChI=1S/C16H17N3O2/c1-12(19(2)10-13-7-8-21-11-13)16(20)18-15-6-4-3-5-14(15)9-17/h3-8,11-12H,10H2,1-2H3,(H,18,20)
InChIKeyOKTDUMCOHPNUQH-UHFFFAOYSA-N
XLogP2.61
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 9298914
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)propanamide
CID 17491400
(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 41337356
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide (CID 61422743) is N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide is CC(C(=O)Nc1ccccc1C#N)N(C)Cc1ccoc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide?
The InChIKey is OKTDUMCOHPNUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(19(2)10-13-7-8-21-11-13)16(20)18-15-6-4-3-5-14(15)9-17/h3-8,11-12H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide?
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide has a molecular weight of 283.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 61422743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).