N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide

C24H27N3O5 — CID 43814851

IUPACN-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1
InChIInChI=1S/C24H27N3O5/c28-22(25-18-9-5-2-6-10-18)15-27(14-17-7-3-1-4-8-17)24(30)23(29)26-19-11-12-20-21(13-19)32-16-31-20/h1,3-4,7-8,11-13,18H,2,5-6,9-10,14-16H2,(H,25,28)(H,26,29)
InChIKeySPANJUNDTTZARA-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.83
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide

N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide (PubChem CID 43814851) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide
PubChem CID43814851
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1
InChIInChI=1S/C24H27N3O5/c28-22(25-18-9-5-2-6-10-18)15-27(14-17-7-3-1-4-8-17)24(30)23(29)26-19-11-12-20-21(13-19)32-16-31-20/h1,3-4,7-8,11-13,18H,2,5-6,9-10,14-16H2,(H,25,28)(H,26,29)
InChIKeySPANJUNDTTZARA-UHFFFAOYSA-N
XLogP2.83
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide 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-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
N'-butyl-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3221300
N'-benzyl-N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 43814830
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 1153874
2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetyl]anilino)-N-cyclohexylacetamide
CID 3182274
2-[[2-[(S)-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylacetamide
CID 40657105
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
2-[[2-[(R)-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 98091890
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
N-[2-[1,3-benzodioxol-5-ylmethyl-[2-(cyclohexylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 651716
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
CID 51260808
1-[(2R)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-cyclohexylurea
CID 92865398

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide (CID 43814851) is N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide is O=C(CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide?
The InChIKey is SPANJUNDTTZARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c28-22(25-18-9-5-2-6-10-18)15-27(14-17-7-3-1-4-8-17)24(30)23(29)26-19-11-12-20-21(13-19)32-16-31-20/h1,3-4,7-8,11-13,18H,2,5-6,9-10,14-16H2,(H,25,28)(H,26,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide?
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide has a molecular weight of 437.50 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-[2-(cyclohexylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 43814851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).