N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide

C25H25NO4 — CID 42796369

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc2c(c1)OCCO2)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H25NO4/c1-28-18-25(27)26(16-19-11-12-23-24(15-19)30-14-13-29-23)17-21-9-5-6-10-22(21)20-7-3-2-4-8-20/h2-12,15H,13-14,16-18H2,1H3
InChIKeyPWANXWPEQIOCSB-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.30
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide (PubChem CID 42796369) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide
PubChem CID42796369
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc2c(c1)OCCO2)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H25NO4/c1-28-18-25(27)26(16-19-11-12-23-24(15-19)30-14-13-29-23)17-21-9-5-6-10-22(21)20-7-3-2-4-8-20/h2-12,15H,13-14,16-18H2,1H3
InChIKeyPWANXWPEQIOCSB-UHFFFAOYSA-N
XLogP4.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
CID 60656747
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)-4-phenylbutanamide
CID 58080401
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 26905533
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 51070406
N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42782299
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641310
2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
CID 119196809
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8635249
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 17414825

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide (CID 42796369) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide is COCC(=O)N(Cc1ccc2c(c1)OCCO2)Cc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide?
The InChIKey is PWANXWPEQIOCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-28-18-25(27)26(16-19-11-12-23-24(15-19)30-14-13-29-23)17-21-9-5-6-10-22(21)20-7-3-2-4-8-20/h2-12,15H,13-14,16-18H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-[(2-phenylphenyl)methyl]acetamide is sourced from PubChem (CID 42796369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).