3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide

C15H21NO2 — CID 165355331

IUPAC3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide
SMILESCCc1cc(OCC2CC2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C15H21NO2/c1-4-11-7-13(15(17)16(2)3)9-14(8-11)18-10-12-5-6-12/h7-9,12H,4-6,10H2,1-3H3
InChIKeyJVVNIGXGXVMWPX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.74
Rot. Bonds5

About 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide

3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide (PubChem CID 165355331) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide
PubChem CID165355331
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide
SMILESCCc1cc(OCC2CC2)cc(C(=O)N(C)C)c1
InChIInChI=1S/C15H21NO2/c1-4-11-7-13(15(17)16(2)3)9-14(8-11)18-10-12-5-6-12/h7-9,12H,4-6,10H2,1-3H3
InChIKeyJVVNIGXGXVMWPX-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide?
The IUPAC name of 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide (CID 165355331) is 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide is CCc1cc(OCC2CC2)cc(C(=O)N(C)C)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide?
The InChIKey is JVVNIGXGXVMWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-11-7-13(15(17)16(2)3)9-14(8-11)18-10-12-5-6-12/h7-9,12H,4-6,10H2,1-3H3.
What are the key properties of 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide?
3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide is sourced from PubChem (CID 165355331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).