N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide

C15H18N4O — CID 47395538

IUPACN-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
SMILESCC(C#N)CN(C)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H18N4O/c1-11(8-16)10-19(3)12(2)15(20)18-14-7-5-4-6-13(14)9-17/h4-7,11-12H,10H2,1-3H3,(H,18,20)
InChIKeyWIUKZNXMVNROTP-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.98
Rot. Bonds5

About N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide

N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide (PubChem CID 47395538) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
PubChem CID47395538
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
SMILESCC(C#N)CN(C)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H18N4O/c1-11(8-16)10-19(3)12(2)15(20)18-14-7-5-4-6-13(14)9-17/h4-7,11-12H,10H2,1-3H3,(H,18,20)
InChIKeyWIUKZNXMVNROTP-UHFFFAOYSA-N
XLogP1.98
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(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-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 9298914
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)propanamide
CID 17491400
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide (CID 47395538) is N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide is CC(C#N)CN(C)C(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
The InChIKey is WIUKZNXMVNROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(8-16)10-19(3)12(2)15(20)18-14-7-5-4-6-13(14)9-17/h4-7,11-12H,10H2,1-3H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide has a molecular weight of 270.34 g/mol, XLogP of 1.98, 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-[2-cyanopropyl(methyl)amino]propanamide is sourced from PubChem (CID 47395538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).