N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide

C21H25NO3 — CID 71974091

IUPACN-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide
SMILESCN(C(=O)CCOC1CCOCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H25NO3/c1-22(21(23)13-16-25-18-11-14-24-15-12-18)20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyRXJJCVHTZGTMFB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.90
Rot. Bonds6

About N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide

N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide (PubChem CID 71974091) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide
PubChem CID71974091
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide
SMILESCN(C(=O)CCOC1CCOCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H25NO3/c1-22(21(23)13-16-25-18-11-14-24-15-12-18)20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyRXJJCVHTZGTMFB-UHFFFAOYSA-N
XLogP3.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide?
The IUPAC name of N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide (CID 71974091) is N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide is CN(C(=O)CCOC1CCOCC1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide?
The InChIKey is RXJJCVHTZGTMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-22(21(23)13-16-25-18-11-14-24-15-12-18)20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3.
What are the key properties of N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide?
N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-4-yloxy)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 71974091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).