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

C23H26N2O4 — CID 55387788

IUPAC3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H26N2O4/c1-14(2)21(16-8-9-19-20(13-16)29-11-10-28-19)25-23(27)17-4-3-5-18(12-17)24-22(26)15-6-7-15/h3-5,8-9,12-15,21H,6-7,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeySUMYUVWTCSUUDG-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.93
Rot. Bonds6

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

3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide (PubChem CID 55387788) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
PubChem CID55387788
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H26N2O4/c1-14(2)21(16-8-9-19-20(13-16)29-11-10-28-19)25-23(27)17-4-3-5-18(12-17)24-22(26)15-6-7-15/h3-5,8-9,12-15,21H,6-7,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeySUMYUVWTCSUUDG-UHFFFAOYSA-N
XLogP3.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119691905
3,5-diacetamido-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 39966484
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7669638
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-phenoxybenzamide
CID 7669654
1-[2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 40855407
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
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]-2,3-dimethylquinoxaline-6-carboxamide
CID 55387722
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-phenoxybenzamide
CID 7671665
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(tetrazol-1-yl)benzamide
CID 51206366
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 18149183

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide (CID 55387788) is 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide is CC(C)C(NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
The InChIKey is SUMYUVWTCSUUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)21(16-8-9-19-20(13-16)29-11-10-28-19)25-23(27)17-4-3-5-18(12-17)24-22(26)15-6-7-15/h3-5,8-9,12-15,21H,6-7,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 55387788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).