2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide

C20H26N2O4 — CID 67612053

IUPAC2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)C1OCC(c2cccc3cc(OC)ccc23)CO1
InChIInChI=1S/C20H26N2O4/c1-3-9-22-18(19(21)23)20-25-11-14(12-26-20)16-6-4-5-13-10-15(24-2)7-8-17(13)16/h4-8,10,14,18,20,22H,3,9,11-12H2,1-2H3,(H2,21,23)
InChIKeyDMLLFAIZGSXULV-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.16
Rot. Bonds7

About 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide

2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide (PubChem CID 67612053) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide.

Molecular Properties

Compound Name2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide
PubChem CID67612053
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)C1OCC(c2cccc3cc(OC)ccc23)CO1
InChIInChI=1S/C20H26N2O4/c1-3-9-22-18(19(21)23)20-25-11-14(12-26-20)16-6-4-5-13-10-15(24-2)7-8-17(13)16/h4-8,10,14,18,20,22H,3,9,11-12H2,1-2H3,(H2,21,23)
InChIKeyDMLLFAIZGSXULV-UHFFFAOYSA-N
XLogP2.16
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
CID 141239089
[2-hydroxy-2-(pyridin-4-ylmethylamino)ethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
CID 141239079
2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
ethyl 2-[2,3-dihydro-1H-inden-1-yl-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]amino]acetate
CID 15858929
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
2-naphthalen-1-yl-2-(propylamino)acetamide
CID 60796538
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate
CID 175404510
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
2-(7-methoxynaphthalen-1-yl)hexanamide
CID 57317749
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide?
The IUPAC name of 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide (CID 67612053) is 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide.
What is the SMILES notation for 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide?
The canonical SMILES for 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide is CCCNC(C(N)=O)C1OCC(c2cccc3cc(OC)ccc23)CO1.
What is the InChIKey of 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide?
The InChIKey is DMLLFAIZGSXULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-9-22-18(19(21)23)20-25-11-14(12-26-20)16-6-4-5-13-10-15(24-2)7-8-17(13)16/h4-8,10,14,18,20,22H,3,9,11-12H2,1-2H3,(H2,21,23).
What are the key properties of 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide?
2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]-2-(propylamino)acetamide is sourced from PubChem (CID 67612053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).