N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide

C20H25NO4 — CID 42773300

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide
SMILESCCCCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1
InChIInChI=1S/C20H25NO4/c1-3-4-5-6-20(22)21(13-17-9-7-15(2)25-17)12-16-8-10-18-19(11-16)24-14-23-18/h7-11H,3-6,12-14H2,1-2H3
InChIKeyKVRRRZJZCUBVKJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.43
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide

N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide (PubChem CID 42773300) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide
PubChem CID42773300
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide
SMILESCCCCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1
InChIInChI=1S/C20H25NO4/c1-3-4-5-6-20(22)21(13-17-9-7-15(2)25-17)12-16-8-10-18-19(11-16)24-14-23-18/h7-11H,3-6,12-14H2,1-2H3
InChIKeyKVRRRZJZCUBVKJ-UHFFFAOYSA-N
XLogP4.43
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)heptanamide
CID 4121422
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 4583809
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557
methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-prop-2-enylamino]-5-oxopentanoate
CID 3388861
methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate
CID 4209299
(2S)-N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 93109891
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)hexanamide
CID 3459730
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 3281618
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058687
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(octylsulfonyl)amino]acetamide
CID 5116024
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethylphenyl)carbamoyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3285721
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 4252861

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide (CID 42773300) is N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide is CCCCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide?
The InChIKey is KVRRRZJZCUBVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-4-5-6-20(22)21(13-17-9-7-15(2)25-17)12-16-8-10-18-19(11-16)24-14-23-18/h7-11H,3-6,12-14H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide has a molecular weight of 343.42 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide is sourced from PubChem (CID 42773300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).