N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide

C26H30N2O3 — CID 60520602

IUPACN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C26H30N2O3/c1-20(31-25-15-11-23(12-16-25)22-7-5-4-6-8-22)26(29)27-19-21-9-13-24(14-10-21)30-18-17-28(2)3/h4-16,20H,17-19H2,1-3H3,(H,27,29)
InChIKeyXYYKXBHEXYWDPY-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.38
Rot. Bonds10

About N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 60520602) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide
PubChem CID60520602
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C26H30N2O3/c1-20(31-25-15-11-23(12-16-25)22-7-5-4-6-8-22)26(29)27-19-21-9-13-24(14-10-21)30-18-17-28(2)3/h4-16,20H,17-19H2,1-3H3,(H,27,29)
InChIKeyXYYKXBHEXYWDPY-UHFFFAOYSA-N
XLogP4.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 60545308
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
CID 120502855
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide (CID 60520602) is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(OCCN(C)C)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is XYYKXBHEXYWDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-20(31-25-15-11-23(12-16-25)22-7-5-4-6-8-22)26(29)27-19-21-9-13-24(14-10-21)30-18-17-28(2)3/h4-16,20H,17-19H2,1-3H3,(H,27,29).
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide?
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 418.54 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 60520602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).