N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide

C23H27NO5 — CID 110371316

IUPACN-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C23H27NO5/c1-26-19-4-3-5-20(27-2)22(19)23(25)24-11-10-17(15-6-7-15)16-8-9-18-21(14-16)29-13-12-28-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,24,25)
InChIKeyALYDFHISXGQTLH-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.79
Rot. Bonds8

About N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide

N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide (PubChem CID 110371316) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide
PubChem CID110371316
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC NameN-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C23H27NO5/c1-26-19-4-3-5-20(27-2)22(19)23(25)24-11-10-17(15-6-7-15)16-8-9-18-21(14-16)29-13-12-28-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,24,25)
InChIKeyALYDFHISXGQTLH-UHFFFAOYSA-N
XLogP3.79
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide
CID 110371304
1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 55911955
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 110297488
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-phenylmethanesulfonamide
CID 110371346
N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297543
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid
CID 83951389
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide
CID 110665737
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(2,3-dimethylphenoxy)propanamide
CID 55923384
N'-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 124892004
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052638

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide (CID 110371316) is N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCC(c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide?
The InChIKey is ALYDFHISXGQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-26-19-4-3-5-20(27-2)22(19)23(25)24-11-10-17(15-6-7-15)16-8-9-18-21(14-16)29-13-12-28-18/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,24,25).
What are the key properties of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide?
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide has a molecular weight of 397.47 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110371316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).