1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C20H21NO4 — CID 113198645

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-23-16-5-2-14(3-6-16)13-21-19(22)20(8-9-20)15-4-7-17-18(12-15)25-11-10-24-17/h2-7,12H,8-11,13H2,1H3,(H,21,22)
InChIKeyNUPXUOHNRQPNGY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.81
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 113198645) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID113198645
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-23-16-5-2-14(3-6-16)13-21-19(22)20(8-9-20)15-4-7-17-18(12-15)25-11-10-24-17/h2-7,12H,8-11,13H2,1H3,(H,21,22)
InChIKeyNUPXUOHNRQPNGY-UHFFFAOYSA-N
XLogP2.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 55743758
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 113198650
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451108
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide
CID 55526551
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopentane-1-carboxamide
CID 46418726
4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 47720644
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 113198645) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is NUPXUOHNRQPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-16-5-2-14(3-6-16)13-21-19(22)20(8-9-20)15-4-7-17-18(12-15)25-11-10-24-17/h2-7,12H,8-11,13H2,1H3,(H,21,22).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113198645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).