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

C19H21N3O2 — CID 33477524

IUPACN-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCN(CCOc1ccccc1)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-22(12-13-24-18-8-3-2-4-9-18)11-10-19(23)21-17-7-5-6-16(14-17)15-20/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyFXVXFRJULZVYIP-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.90
Rot. Bonds8

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

N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide (PubChem CID 33477524) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
PubChem CID33477524
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCN(CCOc1ccccc1)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O2/c1-22(12-13-24-18-8-3-2-4-9-18)11-10-19(23)21-17-7-5-6-16(14-17)15-20/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyFXVXFRJULZVYIP-UHFFFAOYSA-N
XLogP2.90
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43327324
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980
3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
CID 115666850
N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
CID 115666864
N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
CID 43824378
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
3-[(3-cyanophenyl)carbamoyl-methylamino]propanoic acid
CID 60990103

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide (CID 33477524) is N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide is CN(CCOc1ccccc1)CCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide?
The InChIKey is FXVXFRJULZVYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(12-13-24-18-8-3-2-4-9-18)11-10-19(23)21-17-7-5-6-16(14-17)15-20/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide?
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide is sourced from PubChem (CID 33477524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).