2,4-dimethoxy-N-propylbenzamide

C12H17NO3 — CID 3118680

IUPAC2,4-dimethoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C12H17NO3/c1-4-7-13-12(14)10-6-5-9(15-2)8-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyPYRRKMSJTDHWNG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.84
Rot. Bonds5

About 2,4-dimethoxy-N-propylbenzamide

2,4-dimethoxy-N-propylbenzamide (PubChem CID 3118680) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,4-dimethoxy-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-propylbenzamide
PubChem CID3118680
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,4-dimethoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C12H17NO3/c1-4-7-13-12(14)10-6-5-9(15-2)8-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKeyPYRRKMSJTDHWNG-UHFFFAOYSA-N
XLogP1.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-propylbenzamide?
The IUPAC name of 2,4-dimethoxy-N-propylbenzamide (CID 3118680) is 2,4-dimethoxy-N-propylbenzamide.
What is the SMILES notation for 2,4-dimethoxy-N-propylbenzamide?
The canonical SMILES for 2,4-dimethoxy-N-propylbenzamide is CCCNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-propylbenzamide?
The InChIKey is PYRRKMSJTDHWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-7-13-12(14)10-6-5-9(15-2)8-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethoxy-N-propylbenzamide?
2,4-dimethoxy-N-propylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-propylbenzamide is sourced from PubChem (CID 3118680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).