3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide

C23H27N3O5 — CID 39966484

IUPAC3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1
InChIInChI=1S/C23H27N3O5/c1-13(2)22(16-5-6-20-21(11-16)31-8-7-30-20)26-23(29)17-9-18(24-14(3)27)12-19(10-17)25-15(4)28/h5-6,9-13,22H,7-8H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyVOLDOSOHAADHTP-JOCHJYFZSA-N
MW425.49 g/mol
LogP3.50
Rot. Bonds6

About 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide

3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide (PubChem CID 39966484) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
PubChem CID39966484
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1
InChIInChI=1S/C23H27N3O5/c1-13(2)22(16-5-6-20-21(11-16)31-8-7-30-20)26-23(29)17-9-18(24-14(3)27)12-19(10-17)25-15(4)28/h5-6,9-13,22H,7-8H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyVOLDOSOHAADHTP-JOCHJYFZSA-N
XLogP3.50
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide with MolForge

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3,5-difluorobenzamide
CID 9193516
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
4-(acetamidomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 18086663
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7669638
5-acetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiophene-2-carboxamide
CID 26132339
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylsulfanylbenzamide
CID 9258458
3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 55387788
4-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 27839947
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119691905
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 18149183
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55387722
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-phenoxybenzamide
CID 7669654

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide (CID 39966484) is 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1.
What is the InChIKey of 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
The InChIKey is VOLDOSOHAADHTP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-13(2)22(16-5-6-20-21(11-16)31-8-7-30-20)26-23(29)17-9-18(24-14(3)27)12-19(10-17)25-15(4)28/h5-6,9-13,22H,7-8H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t22-/m1/s1.
What are the key properties of 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 39966484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).