N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

C25H28N2O3 — CID 172655306

IUPACN,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(OCCN3CCOCC3)cc3ccccc23)cc1
InChIInChI=1S/C25H28N2O3/c1-26(2)25(28)20-9-7-19(8-10-20)24-18-22(17-21-5-3-4-6-23(21)24)30-16-13-27-11-14-29-15-12-27/h3-10,17-18H,11-16H2,1-2H3
InChIKeyVRMHENCMVYENQG-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.92
Rot. Bonds6

About N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 172655306) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID172655306
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(OCCN3CCOCC3)cc3ccccc23)cc1
InChIInChI=1S/C25H28N2O3/c1-26(2)25(28)20-9-7-19(8-10-20)24-18-22(17-21-5-3-4-6-23(21)24)30-16-13-27-11-14-29-15-12-27/h3-10,17-18H,11-16H2,1-2H3
InChIKeyVRMHENCMVYENQG-UHFFFAOYSA-N
XLogP3.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide
CID 71598730
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991
N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
CID 23557227
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
N,N-dimethyl-4-[4-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 3234913
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
benzyl-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamic acid
CID 70655071

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 172655306) is N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is CN(C)C(=O)c1ccc(-c2cc(OCCN3CCOCC3)cc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is VRMHENCMVYENQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-26(2)25(28)20-9-7-19(8-10-20)24-18-22(17-21-5-3-4-6-23(21)24)30-16-13-27-11-14-29-15-12-27/h3-10,17-18H,11-16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 172655306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).