4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide

C18H19NO2 — CID 142415331

IUPAC4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-19(2)18(20)15-7-11-17(12-8-15)21-16-9-5-14(6-10-16)13-3-4-13/h5-13H,3-4H2,1-2H3
InChIKeyAVPSKVWRVKKOOR-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide

4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide (PubChem CID 142415331) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
PubChem CID142415331
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-19(2)18(20)15-7-11-17(12-8-15)21-16-9-5-14(6-10-16)13-3-4-13/h5-13H,3-4H2,1-2H3
InChIKeyAVPSKVWRVKKOOR-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
N,N-dimethyl-4-(2-methylpiperidin-4-yl)benzamide;ethane
CID 177354214
4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide
CID 109416271
4-(4-butylphenoxy)-N,N-dimethylbenzamide
CID 146305996
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
4-cyclopropyl-N-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 154852891
N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
CID 158611008
4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]-N,N-dimethylbenzamide
CID 161222669
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide (CID 142415331) is 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2ccc(C3CC3)cc2)cc1.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide?
The InChIKey is AVPSKVWRVKKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19(2)18(20)15-7-11-17(12-8-15)21-16-9-5-14(6-10-16)13-3-4-13/h5-13H,3-4H2,1-2H3.
What are the key properties of 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide?
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 142415331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).