N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide

C24H22N2O2 — CID 55609402

IUPACN-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C24H22N2O2/c1-18(24(27)26(2)17-20-8-6-7-19(15-20)16-25)28-23-13-11-22(12-14-23)21-9-4-3-5-10-21/h3-15,18H,17H2,1-2H3
InChIKeyHWENJLGBVLAWLF-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.65
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide

N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide (PubChem CID 55609402) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
PubChem CID55609402
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C24H22N2O2/c1-18(24(27)26(2)17-20-8-6-7-19(15-20)16-25)28-23-13-11-22(12-14-23)21-9-4-3-5-10-21/h3-15,18H,17H2,1-2H3
InChIKeyHWENJLGBVLAWLF-UHFFFAOYSA-N
XLogP4.65
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
(3-cyanophenyl)methyl 2-phenoxypropanoate
CID 24671771
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)-N-methylpropanamide
CID 27863638
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
3-amino-4-[(3-cyanophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64895922
2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
N-(cyclopropylmethyl)-N-methyl-2-(4-phenylphenoxy)propanamide
CID 60532842
2-[4-[3-[(dimethylamino)methyl]phenyl]phenoxy]propanoic acid
CID 82039458
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide (CID 55609402) is N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide?
The InChIKey is HWENJLGBVLAWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-18(24(27)26(2)17-20-8-6-7-19(15-20)16-25)28-23-13-11-22(12-14-23)21-9-4-3-5-10-21/h3-15,18H,17H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide?
N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide has a molecular weight of 370.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methyl-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 55609402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).