N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide

C16H23N3O2 — CID 82938584

IUPACN-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
SMILESCOCCN(C(C)C)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-12(2)19(9-10-21-4)13(3)16(20)18-15-8-6-5-7-14(15)11-17/h5-8,12-13H,9-10H2,1-4H3,(H,18,20)
InChIKeyAXHSDUIJYNOUEW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.24
Rot. Bonds7

About N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide

N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide (PubChem CID 82938584) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
PubChem CID82938584
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
SMILESCOCCN(C(C)C)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-12(2)19(9-10-21-4)13(3)16(20)18-15-8-6-5-7-14(15)11-17/h5-8,12-13H,9-10H2,1-4H3,(H,18,20)
InChIKeyAXHSDUIJYNOUEW-UHFFFAOYSA-N
XLogP2.24
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82941643
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide
CID 60967697
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
(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
N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689300
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide (CID 82938584) is N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide is COCCN(C(C)C)C(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
The InChIKey is AXHSDUIJYNOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)19(9-10-21-4)13(3)16(20)18-15-8-6-5-7-14(15)11-17/h5-8,12-13H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.24, 7 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-methoxyethyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 82938584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).