4-[[4-(methylamino)phenoxy]methyl]benzamide

C15H16N2O2 — CID 54908957

IUPAC4-[[4-(methylamino)phenoxy]methyl]benzamide
SMILESCNc1ccc(OCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyBICHHLNZZOKCSG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.41
Rot. Bonds5

About 4-[[4-(methylamino)phenoxy]methyl]benzamide

4-[[4-(methylamino)phenoxy]methyl]benzamide (PubChem CID 54908957) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[[4-(methylamino)phenoxy]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(methylamino)phenoxy]methyl]benzamide
PubChem CID54908957
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-[[4-(methylamino)phenoxy]methyl]benzamide
SMILESCNc1ccc(OCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyBICHHLNZZOKCSG-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
1-[4-(methoxymethyl)phenyl]-2-[4-(methylamino)phenoxy]ethanone
CID 20677050
ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide
CID 143210969
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
4-[(6-hydrazinyl-3-pyridinyl)methoxy]benzamide
CID 62244712
[4-(methylamino)phenyl] 4-[(6-acetylnaphthalen-2-yl)oxymethyl]benzoate
CID 20591302
4-[(3-amino-4-methoxyphenyl)methoxy]benzamide
CID 28557381

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)phenoxy]methyl]benzamide?
The IUPAC name of 4-[[4-(methylamino)phenoxy]methyl]benzamide (CID 54908957) is 4-[[4-(methylamino)phenoxy]methyl]benzamide.
What is the SMILES notation for 4-[[4-(methylamino)phenoxy]methyl]benzamide?
The canonical SMILES for 4-[[4-(methylamino)phenoxy]methyl]benzamide is CNc1ccc(OCc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[4-(methylamino)phenoxy]methyl]benzamide?
The InChIKey is BICHHLNZZOKCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18).
What are the key properties of 4-[[4-(methylamino)phenoxy]methyl]benzamide?
4-[[4-(methylamino)phenoxy]methyl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)phenoxy]methyl]benzamide is sourced from PubChem (CID 54908957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).