N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide

C18H26N2O4 — CID 60502282

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC1CCOC1
InChIInChI=1S/C18H26N2O4/c1-2-20(11-14-6-9-22-13-14)12-18(21)19-15-4-5-16-17(10-15)24-8-3-7-23-16/h4-5,10,14H,2-3,6-9,11-13H2,1H3,(H,19,21)
InChIKeyCCNFFCLMTBGYMY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.14
Rot. Bonds6

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide (PubChem CID 60502282) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
PubChem CID60502282
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC1CCOC1
InChIInChI=1S/C18H26N2O4/c1-2-20(11-14-6-9-22-13-14)12-18(21)19-15-4-5-16-17(10-15)24-8-3-7-23-16/h4-5,10,14H,2-3,6-9,11-13H2,1H3,(H,19,21)
InChIKeyCCNFFCLMTBGYMY-UHFFFAOYSA-N
XLogP2.14
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8907377
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 51199817
2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9030490
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60841575
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 9030186
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251
N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]acetamide
CID 9030573

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide (CID 60502282) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC1CCOC1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
The InChIKey is CCNFFCLMTBGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-20(11-14-6-9-22-13-14)12-18(21)19-15-4-5-16-17(10-15)24-8-3-7-23-16/h4-5,10,14H,2-3,6-9,11-13H2,1H3,(H,19,21).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 60502282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).