3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide

C22H22N2O3 — CID 172670829

IUPAC3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide
SMILESCC(Oc1ccc(-c2cccc(C(N)=O)c2)c2ccccc12)C(=O)N(C)C
InChIInChI=1S/C22H22N2O3/c1-14(22(26)24(2)3)27-20-12-11-17(18-9-4-5-10-19(18)20)15-7-6-8-16(13-15)21(23)25/h4-14H,1-3H3,(H2,23,25)
InChIKeyHDQFKBPEKJGMGC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.46
Rot. Bonds5

About 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide

3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide (PubChem CID 172670829) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide
PubChem CID172670829
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide
SMILESCC(Oc1ccc(-c2cccc(C(N)=O)c2)c2ccccc12)C(=O)N(C)C
InChIInChI=1S/C22H22N2O3/c1-14(22(26)24(2)3)27-20-12-11-17(18-9-4-5-10-19(18)20)15-7-6-8-16(13-15)21(23)25/h4-14H,1-3H3,(H2,23,25)
InChIKeyHDQFKBPEKJGMGC-UHFFFAOYSA-N
XLogP3.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide
CID 175644472
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
3-[2-(difluoromethoxy)-5-methylphenyl]benzamide
CID 126731000
3-[2-(difluoromethoxy)-5-hydroxyphenyl]benzamide
CID 118446648
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
2-(4-hydroxynaphthalen-1-yl)oxypropanamide
CID 91696699
N,N-dimethyl-2-(4-pyridin-4-ylnaphthalen-2-yl)oxypropanamide
CID 172666857
2-(5-aminoquinolin-8-yl)oxy-N,N-dimethylpropanamide
CID 60865141
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838
4-amino-3-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43379835

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide?
The IUPAC name of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide (CID 172670829) is 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide?
The canonical SMILES for 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide is CC(Oc1ccc(-c2cccc(C(N)=O)c2)c2ccccc12)C(=O)N(C)C.
What is the InChIKey of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide?
The InChIKey is HDQFKBPEKJGMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14(22(26)24(2)3)27-20-12-11-17(18-9-4-5-10-19(18)20)15-7-6-8-16(13-15)21(23)25/h4-14H,1-3H3,(H2,23,25).
What are the key properties of 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide?
3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide is sourced from PubChem (CID 172670829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).