N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide

C19H21N3O2 — CID 17437572

IUPACN-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)CCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(19(23)21-17-10-8-16(14-20)9-11-17)22(2)12-13-24-18-6-4-3-5-7-18/h3-11,15H,12-13H2,1-2H3,(H,21,23)
InChIKeyPLNBDMTZKKDEMU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.90
Rot. Bonds7

About N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide

N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide (PubChem CID 17437572) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
PubChem CID17437572
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)CCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(19(23)21-17-10-8-16(14-20)9-11-17)22(2)12-13-24-18-6-4-3-5-7-18/h3-11,15H,12-13H2,1-2H3,(H,21,23)
InChIKeyPLNBDMTZKKDEMU-UHFFFAOYSA-N
XLogP2.90
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8797312
(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 9436928

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide (CID 17437572) is N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide is CC(C(=O)Nc1ccc(C#N)cc1)N(C)CCOc1ccccc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The InChIKey is PLNBDMTZKKDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(19(23)21-17-10-8-16(14-20)9-11-17)22(2)12-13-24-18-6-4-3-5-7-18/h3-11,15H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide is sourced from PubChem (CID 17437572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).