N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide

C22H26N2O4 — CID 110606364

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C22H26N2O4/c1-15-6-7-17(12-16(15)2)4-3-5-21(25)23-14-22(26)24-18-8-9-19-20(13-18)28-11-10-27-19/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDHDXSLHIXVNDAV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide (PubChem CID 110606364) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
PubChem CID110606364
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C22H26N2O4/c1-15-6-7-17(12-16(15)2)4-3-5-21(25)23-14-22(26)24-18-8-9-19-20(13-18)28-11-10-27-19/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDHDXSLHIXVNDAV-UHFFFAOYSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606172
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]propanamide
CID 110606365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetamide
CID 110615491
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110606337
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-thiophen-2-ylpentanamide
CID 110615511
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 110370533
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29198112
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110423518
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 3676509
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide (CID 110606364) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide is Cc1ccc(CCCC(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1C.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The InChIKey is DHDXSLHIXVNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-7-17(12-16(15)2)4-3-5-21(25)23-14-22(26)24-18-8-9-19-20(13-18)28-11-10-27-19/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide has a molecular weight of 382.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 110606364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).