N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide

C17H24N2O4 — CID 22422955

IUPACN-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-11-4-10-18-16(20)13-6-8-14(9-7-13)19-17(21)15-5-3-12-23-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyZAVYQWMENZAQSY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.96
Rot. Bonds8

About N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 22422955) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID22422955
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-11-4-10-18-16(20)13-6-8-14(9-7-13)19-17(21)15-5-3-12-23-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyZAVYQWMENZAQSY-UHFFFAOYSA-N
XLogP1.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 22422955) is N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide is CCOCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is ZAVYQWMENZAQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-22-11-4-10-18-16(20)13-6-8-14(9-7-13)19-17(21)15-5-3-12-23-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxypropylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 22422955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).