N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide

C17H24N2O3 — CID 3063789

IUPACN-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide
SMILESC=CCOc1c(CCC)cc(C(=O)NC(N)=O)cc1CCC
InChIInChI=1S/C17H24N2O3/c1-4-7-12-10-14(16(20)19-17(18)21)11-13(8-5-2)15(12)22-9-6-3/h6,10-11H,3-5,7-9H2,1-2H3,(H3,18,19,20,21)
InChIKeyJAZGOHGTFWJVIP-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.96
Rot. Bonds8

About N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide

N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide (PubChem CID 3063789) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide.

Molecular Properties

Compound NameN-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide
PubChem CID3063789
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide
SMILESC=CCOc1c(CCC)cc(C(=O)NC(N)=O)cc1CCC
InChIInChI=1S/C17H24N2O3/c1-4-7-12-10-14(16(20)19-17(18)21)11-13(8-5-2)15(12)22-9-6-3/h6,10-11H,3-5,7-9H2,1-2H3,(H3,18,19,20,21)
InChIKeyJAZGOHGTFWJVIP-UHFFFAOYSA-N
XLogP2.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide?
The IUPAC name of N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide (CID 3063789) is N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide.
What is the SMILES notation for N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide?
The canonical SMILES for N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide is C=CCOc1c(CCC)cc(C(=O)NC(N)=O)cc1CCC.
What is the InChIKey of N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide?
The InChIKey is JAZGOHGTFWJVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-7-12-10-14(16(20)19-17(18)21)11-13(8-5-2)15(12)22-9-6-3/h6,10-11H,3-5,7-9H2,1-2H3,(H3,18,19,20,21).
What are the key properties of N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide?
N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-4-prop-2-enoxy-3,5-dipropylbenzamide is sourced from PubChem (CID 3063789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).