[7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate

C21H27NO5 — CID 19909126

IUPAC[7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate
SMILESCCC(=O)Oc1cc(OC)c(OC(=O)CC)c2ccc(N(CC)CC)cc12
InChIInChI=1S/C21H27NO5/c1-6-19(23)26-17-13-18(25-5)21(27-20(24)7-2)15-11-10-14(12-16(15)17)22(8-3)9-4/h10-13H,6-9H2,1-5H3
InChIKeyAFFKRSYUBLLRNA-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.33
Rot. Bonds8

About [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate

[7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate (PubChem CID 19909126) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate.

Molecular Properties

Compound Name[7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate
PubChem CID19909126
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name[7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate
SMILESCCC(=O)Oc1cc(OC)c(OC(=O)CC)c2ccc(N(CC)CC)cc12
InChIInChI=1S/C21H27NO5/c1-6-19(23)26-17-13-18(25-5)21(27-20(24)7-2)15-11-10-14(12-16(15)17)22(8-3)9-4/h10-13H,6-9H2,1-5H3
InChIKeyAFFKRSYUBLLRNA-UHFFFAOYSA-N
XLogP4.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
CID 82052966
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
(4-acetyloxy-7-ethyl-3-methoxynaphthalen-1-yl) acetate
CID 19872956
(3-methoxy-4-nonanoyloxynaphthalen-1-yl) nonanoate
CID 153323087
(2E)-2-[[4-(diethylamino)phenyl]methylidene]-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 70146964
2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
(2,6-dimethyl-10-propanoyloxyanthracen-9-yl) propanoate
CID 135239667
N-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N'-[(E)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]oxamide
CID 21214226
(5-bromo-2-methoxyphenyl) propanoate
CID 174969176
(4-iodo-2-methoxyphenyl) propanoate
CID 129282160
(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322

Frequently Asked Questions

What is the IUPAC name of [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate?
The IUPAC name of [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate (CID 19909126) is [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate.
What is the SMILES notation for [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate?
The canonical SMILES for [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate is CCC(=O)Oc1cc(OC)c(OC(=O)CC)c2ccc(N(CC)CC)cc12.
What is the InChIKey of [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate?
The InChIKey is AFFKRSYUBLLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-6-19(23)26-17-13-18(25-5)21(27-20(24)7-2)15-11-10-14(12-16(15)17)22(8-3)9-4/h10-13H,6-9H2,1-5H3.
What are the key properties of [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate?
[7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate has a molecular weight of 373.45 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate is sourced from PubChem (CID 19909126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).