2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate

C24H33NO3 — CID 4417

💊View drug profile → naftidrofuryl
IUPAC2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
InChIKeyKBAFPSLPKGSANY-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.45
Rot. Bonds10

About 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate

2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate (PubChem CID 4417) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
PubChem CID4417
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
InChIKeyKBAFPSLPKGSANY-UHFFFAOYSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Naftidrofuryl Oxalate
CID 312915
Praxilene
CID 18542
Tetrahydro-alpha-(1-naphthalenylmethyl)-2-furanpropanoic acid
CID 117180
2-(diethylamino)ethyl (2S)-2-(naphthalen-1-ylmethyl)-3-[(2S)-oxolan-2-yl]propanoate
CID 6604457
2-(Diethylamino)ethyl 3-(1-naphthyl)propanoate
CID 9549650
2-(diethylamino)ethyl (2S)-2-(naphthalen-1-ylmethyl)-3-[(2R)-oxolan-2-yl]propanoate;oxalic acid
CID 57408036
2-(diethylamino)ethyl (2S)-2-(naphthalen-1-ylmethyl)-3-[(2S)-oxolan-2-yl]propanoate;oxalic acid
CID 70689738
2-(diethylamino)ethyl (2R)-2-(naphthalen-1-ylmethyl)-3-[(2S)-oxolan-2-yl]propanoate;oxalic acid
CID 70689739
2-(Diethylamino)ethyl 3,3-diphenylpropanoate
CID 526545
Naftidrofuryl citrate
CID 184479
(R)-2-(diethylamino)ethyl 3-(naphthalen-1-yl)-2-(((R)-tetrahydrofuran-2-yl)methyl)propanoate oxalate
CID 70685536
2-(Diethylamino)ethyl tetrahydro-alpha-(2-naphthylmethyl)furan-2-propionate
CID 6451714

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate (CID 4417) is 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate is CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.
What is the InChIKey of 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The InChIKey is KBAFPSLPKGSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate has a molecular weight of 383.53 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate is sourced from PubChem (CID 4417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).