N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C19H25N5O3 — CID 125431787

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H25N5O3/c25-18(21-15-5-6-16-17(11-15)27-10-4-9-26-16)12-19(7-2-1-3-8-19)13-24-14-20-22-23-24/h5-6,11,14H,1-4,7-10,12-13H2,(H,21,25)
InChIKeyDLKGHOVDKROQIX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.81
Rot. Bonds5

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

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 125431787) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID125431787
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H25N5O3/c25-18(21-15-5-6-16-17(11-15)27-10-4-9-26-16)12-19(7-2-1-3-8-19)13-24-14-20-22-23-24/h5-6,11,14H,1-4,7-10,12-13H2,(H,21,25)
InChIKeyDLKGHOVDKROQIX-UHFFFAOYSA-N
XLogP2.81
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51049242
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
CID 7440488
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 121239339
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 71709629
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 4689946
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
CID 60638238
4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide
CID 166335317
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 125431787) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is DLKGHOVDKROQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-18(21-15-5-6-16-17(11-15)27-10-4-9-26-16)12-19(7-2-1-3-8-19)13-24-14-20-22-23-24/h5-6,11,14H,1-4,7-10,12-13H2,(H,21,25).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 125431787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).