N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

C21H23N3O4 — CID 70714708

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1N1CCNC1=O
InChIInChI=1S/C21H23N3O4/c1-14-3-5-16(12-17(14)24-8-7-22-21(24)26)20(25)23-13-15-4-6-18-19(11-15)28-10-2-9-27-18/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyZVSTYEKHSBPXFX-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.62
Rot. Bonds4

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 70714708) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID70714708
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1N1CCNC1=O
InChIInChI=1S/C21H23N3O4/c1-14-3-5-16(12-17(14)24-8-7-22-21(24)26)20(25)23-13-15-4-6-18-19(11-15)28-10-2-9-27-18/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyZVSTYEKHSBPXFX-UHFFFAOYSA-N
XLogP2.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 50955536
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 27259757
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
CID 110780516
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 131936152
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(4,5-dimethylpyridazin-3-yl)benzamide
CID 164692396
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 166216311
N-(1H-pyrazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 60735915
3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylurea
CID 66502369
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-(ethylamino)pyrimidine-5-carboxamide
CID 72924871

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 70714708) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1N1CCNC1=O.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is ZVSTYEKHSBPXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-3-5-16(12-17(14)24-8-7-22-21(24)26)20(25)23-13-15-4-6-18-19(11-15)28-10-2-9-27-18/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 381.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 70714708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).