2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide

C24H27NO4 — CID 176503504

IUPAC2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide
SMILESCCC(Oc1ccc(-c2ccc(OC)cc2OC)c2ccccc12)C(=O)N(C)C
InChIInChI=1S/C24H27NO4/c1-6-21(24(26)25(2)3)29-22-14-13-18(17-9-7-8-10-19(17)22)20-12-11-16(27-4)15-23(20)28-5/h7-15,21H,6H2,1-5H3
InChIKeyAIPSCTQCSDKHGF-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide

2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide (PubChem CID 176503504) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide
PubChem CID176503504
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide
SMILESCCC(Oc1ccc(-c2ccc(OC)cc2OC)c2ccccc12)C(=O)N(C)C
InChIInChI=1S/C24H27NO4/c1-6-21(24(26)25(2)3)29-22-14-13-18(17-9-7-8-10-19(17)22)20-12-11-16(27-4)15-23(20)28-5/h7-15,21H,6H2,1-5H3
InChIKeyAIPSCTQCSDKHGF-UHFFFAOYSA-N
XLogP4.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-N,N-dimethylbutanamide
CID 46778420
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-yloxybutanamide
CID 132763303
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methoxyphenoxy)-N-methylbutanamide
CID 132672307
2-(2-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide
CID 38017332
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylbutanamide
CID 132671916
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2S)-2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid
CID 1268135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide?
The IUPAC name of 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide (CID 176503504) is 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide.
What is the SMILES notation for 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide?
The canonical SMILES for 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide is CCC(Oc1ccc(-c2ccc(OC)cc2OC)c2ccccc12)C(=O)N(C)C.
What is the InChIKey of 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide?
The InChIKey is AIPSCTQCSDKHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-6-21(24(26)25(2)3)29-22-14-13-18(17-9-7-8-10-19(17)22)20-12-11-16(27-4)15-23(20)28-5/h7-15,21H,6H2,1-5H3.
What are the key properties of 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide?
2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide has a molecular weight of 393.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide is sourced from PubChem (CID 176503504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).