N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

C21H23NO4 — CID 55552023

IUPACN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)C(C)C2CC2)cc1
InChIInChI=1S/C21H23NO4/c1-14(16-5-6-16)22(12-15-3-8-18(24-2)9-4-15)21(23)17-7-10-19-20(11-17)26-13-25-19/h3-4,7-11,14,16H,5-6,12-13H2,1-2H3
InChIKeyZKFWQZDXWAIQFO-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.86
Rot. Bonds6

About N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 55552023) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID55552023
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)C(C)C2CC2)cc1
InChIInChI=1S/C21H23NO4/c1-14(16-5-6-16)22(12-15-3-8-18(24-2)9-4-15)21(23)17-7-10-19-20(11-17)26-13-25-19/h3-4,7-11,14,16H,5-6,12-13H2,1-2H3
InChIKeyZKFWQZDXWAIQFO-UHFFFAOYSA-N
XLogP3.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42709511
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 98183190
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
N-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 5260694
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037
N-(1-phenylethyl)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42657111
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55552254
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 55552023) is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZKFWQZDXWAIQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(16-5-6-16)22(12-15-3-8-18(24-2)9-4-15)21(23)17-7-10-19-20(11-17)26-13-25-19/h3-4,7-11,14,16H,5-6,12-13H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 55552023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).