2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide

C18H27NO3 — CID 66895949

IUPAC2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
SMILESCOCCCc1cc(CCCOC)c(C2CC2)c(C(N)=O)c1
InChIInChI=1S/C18H27NO3/c1-21-9-3-5-13-11-15(6-4-10-22-2)17(14-7-8-14)16(12-13)18(19)20/h11-12,14H,3-10H2,1-2H3,(H2,19,20)
InChIKeyXLJUOSYJNCHZFQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.82
Rot. Bonds10

About 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide

2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide (PubChem CID 66895949) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
PubChem CID66895949
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
SMILESCOCCCc1cc(CCCOC)c(C2CC2)c(C(N)=O)c1
InChIInChI=1S/C18H27NO3/c1-21-9-3-5-13-11-15(6-4-10-22-2)17(14-7-8-14)16(12-13)18(19)20/h11-12,14H,3-10H2,1-2H3,(H2,19,20)
InChIKeyXLJUOSYJNCHZFQ-UHFFFAOYSA-N
XLogP2.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
The IUPAC name of 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide (CID 66895949) is 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
The canonical SMILES for 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide is COCCCc1cc(CCCOC)c(C2CC2)c(C(N)=O)c1.
What is the InChIKey of 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
The InChIKey is XLJUOSYJNCHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-21-9-3-5-13-11-15(6-4-10-22-2)17(14-7-8-14)16(12-13)18(19)20/h11-12,14H,3-10H2,1-2H3,(H2,19,20).
What are the key properties of 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide is sourced from PubChem (CID 66895949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).