N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide

C26H29N3O4 — CID 166634435

IUPACN-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(-c2cccc(-c3ccc4c(c3)OCCO4)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H29N3O4/c1-17-21(19-8-10-24-25(15-19)33-14-13-32-24)5-4-6-22(17)23-9-7-20(26(29-23)31-3)16-27-11-12-28-18(2)30/h4-10,15,27H,11-14,16H2,1-3H3,(H,28,30)
InChIKeyOYYGCDXCNDVIDJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.73
Rot. Bonds8

About N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide

N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide (PubChem CID 166634435) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide
PubChem CID166634435
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCOc1nc(-c2cccc(-c3ccc4c(c3)OCCO4)c2C)ccc1CNCCNC(C)=O
InChIInChI=1S/C26H29N3O4/c1-17-21(19-8-10-24-25(15-19)33-14-13-32-24)5-4-6-22(17)23-9-7-20(26(29-23)31-3)16-27-11-12-28-18(2)30/h4-10,15,27H,11-14,16H2,1-3H3,(H,28,30)
InChIKeyOYYGCDXCNDVIDJ-UHFFFAOYSA-N
XLogP3.73
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-202
CID 117951478
RAS inhibitor Abd-7
CID 134812710
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 11081493
2-[1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-2-yl-methyl)-acetamide
CID 11812976
Rtiox-276
CID 73294135
N-[2-[[6-[[3-[3-[[5-[(2-acetamidoethylamino)methyl]-6-methoxypyridin-2-yl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridin-3-yl]methylamino]ethyl]acetamide
CID 134240618
2-[2-methoxy-4-[(E)-3-oxo-3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]prop-1-enyl]phenoxy]ethyl nitrate
CID 57521364
3-[2-methoxy-4-[(E)-3-oxo-3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]prop-1-enyl]phenoxy]propyl nitrate
CID 57521470
4-[2-methoxy-4-[(E)-3-oxo-3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]prop-1-enyl]phenoxy]butyl nitrate
CID 57521471
6-[2-methoxy-4-[(E)-3-oxo-3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]prop-1-enyl]phenoxy]hexyl nitrate
CID 57521472
(E)-3-(3-methoxy-4-propoxyphenyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]prop-2-enamide
CID 57521889
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 73292715

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide (CID 166634435) is N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide is COc1nc(-c2cccc(-c3ccc4c(c3)OCCO4)c2C)ccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide?
The InChIKey is OYYGCDXCNDVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17-21(19-8-10-24-25(15-19)33-14-13-32-24)5-4-6-22(17)23-9-7-20(26(29-23)31-3)16-27-11-12-28-18(2)30/h4-10,15,27H,11-14,16H2,1-3H3,(H,28,30).
What are the key properties of N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide?
N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]-2-methoxy-3-pyridinyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 166634435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).