N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C19H21NO4 — CID 95172560

IUPACN-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc(CCCNC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H21NO4/c1-22-16-6-2-4-14(12-16)5-3-9-20-19(21)15-7-8-17-18(13-15)24-11-10-23-17/h2,4,6-8,12-13H,3,5,9-11H2,1H3,(H,20,21)
InChIKeyRYUWKHIJQBQCGF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.83
Rot. Bonds6

About N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 95172560) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID95172560
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc(CCCNC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H21NO4/c1-22-16-6-2-4-14(12-16)5-3-9-20-19(21)15-7-8-17-18(13-15)24-11-10-23-17/h2,4,6-8,12-13H,3,5,9-11H2,1H3,(H,20,21)
InChIKeyRYUWKHIJQBQCGF-UHFFFAOYSA-N
XLogP2.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
N-[3-(1,3-benzodioxol-5-yl)propyl]-3,5-dimethoxybenzamide
CID 110371217
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 110627843
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112983594
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-(3-methoxyphenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789865
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132651169
N-(4-iodobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 106846069
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 95172560) is N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1cccc(CCCNC(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is RYUWKHIJQBQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-6-2-4-14(12-16)5-3-9-20-19(21)15-7-8-17-18(13-15)24-11-10-23-17/h2,4,6-8,12-13H,3,5,9-11H2,1H3,(H,20,21).
What are the key properties of N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 95172560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).