N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide

C22H21NO6 — CID 42724577

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccco2)c1
InChIInChI=1S/C22H21NO6/c1-25-18-9-16(10-19(11-18)26-2)22(24)23(13-17-4-3-7-27-17)12-15-5-6-20-21(8-15)29-14-28-20/h3-11H,12-14H2,1-2H3
InChIKeyKSOBAACNHCBKBX-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.87
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide (PubChem CID 42724577) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
PubChem CID42724577
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccco2)c1
InChIInChI=1S/C22H21NO6/c1-25-18-9-16(10-19(11-18)26-2)22(24)23(13-17-4-3-7-27-17)12-15-5-6-20-21(8-15)29-14-28-20/h3-11H,12-14H2,1-2H3
InChIKeyKSOBAACNHCBKBX-UHFFFAOYSA-N
XLogP3.87
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)urea
CID 42724349
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(furan-2-ylmethyl)urea
CID 42724338
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dichloro-N-(3-ethoxypropyl)benzamide
CID 4621699
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3355018
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 42773017
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(3-ethoxypropyl)benzamide
CID 3550859
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4199823
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-propan-2-ylbenzamide
CID 4179115

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide (CID 42724577) is N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccco2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
The InChIKey is KSOBAACNHCBKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-25-18-9-16(10-19(11-18)26-2)22(24)23(13-17-4-3-7-27-17)12-15-5-6-20-21(8-15)29-14-28-20/h3-11H,12-14H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide has a molecular weight of 395.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 42724577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).