2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate

C20H27NO3 — CID 156854026

IUPAC2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H27NO3/c1-4-21(5-2)12-13-24-20(22)11-7-16-6-8-18-15-19(23-3)10-9-17(18)14-16/h6,8-10,14-15H,4-5,7,11-13H2,1-3H3
InChIKeyDRBPWKKSQSMMDD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.67
Rot. Bonds9

About 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate

2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 156854026) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID156854026
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H27NO3/c1-4-21(5-2)12-13-24-20(22)11-7-16-6-8-18-15-19(23-3)10-9-17(18)14-16/h6,8-10,14-15H,4-5,7,11-13H2,1-3H3
InChIKeyDRBPWKKSQSMMDD-UHFFFAOYSA-N
XLogP3.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
CID 66687162
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
CID 24834681
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 68746310
2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 67768971
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 11292180
propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018033
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 113469211
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate (CID 156854026) is 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate is CCN(CC)CCOC(=O)CCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is DRBPWKKSQSMMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-21(5-2)12-13-24-20(22)11-7-16-6-8-18-15-19(23-3)10-9-17(18)14-16/h6,8-10,14-15H,4-5,7,11-13H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate?
2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 329.44 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 156854026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).