N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide

C24H22N2O4 — CID 2946067

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)NCC2COc3ccccc3O2)cc1
InChIInChI=1S/C24H22N2O4/c27-23(14-17-6-2-1-3-7-17)26-19-12-10-18(11-13-19)24(28)25-15-20-16-29-21-8-4-5-9-22(21)30-20/h1-13,20H,14-16H2,(H,25,28)(H,26,27)
InChIKeyUBXSSGINIMHRSA-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.44
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 2946067) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide
PubChem CID2946067
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)NCC2COc3ccccc3O2)cc1
InChIInChI=1S/C24H22N2O4/c27-23(14-17-6-2-1-3-7-17)26-19-12-10-18(11-13-19)24(28)25-15-20-16-29-21-8-4-5-9-22(21)30-20/h1-13,20H,14-16H2,(H,25,28)(H,26,27)
InChIKeyUBXSSGINIMHRSA-UHFFFAOYSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 10430183
N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788379
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-{[4-(morpholin-4-yl)phenyl]formamido}propanamide
CID 23648338
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
2-phenoxy-N-[4-(pyrrolidinylcarbonyl)phenyl]acetamide
CID 1246899
N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 2524725
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
Ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propanoylamino]benzoate
CID 2968916
N-(4-{[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3241701
N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamide
CID 3245672
3-isopropoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 979227
N-[4-(7,8-Dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carbonyl)-phenyl]-2-methyl-benzamide
CID 10620180

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide (CID 2946067) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)NCC2COc3ccccc3O2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is UBXSSGINIMHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-23(14-17-6-2-1-3-7-17)26-19-12-10-18(11-13-19)24(28)25-15-20-16-29-21-8-4-5-9-22(21)30-20/h1-13,20H,14-16H2,(H,25,28)(H,26,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 2946067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).