N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide

C23H29N3O4 — CID 90973263

IUPACN-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
SMILESCCCNCCOc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-13-24-14-16-29-20-11-5-17(6-12-20)22(27)25-18-7-9-19(10-8-18)26-23(28)21-4-3-15-30-21/h5-12,21,24H,2-4,13-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyXTVZIARRFLJKER-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.43
Rot. Bonds10

About N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide

N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 90973263) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID90973263
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
SMILESCCCNCCOc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-13-24-14-16-29-20-11-5-17(6-12-20)22(27)25-18-7-9-19(10-8-18)26-23(28)21-4-3-15-30-21/h5-12,21,24H,2-4,13-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyXTVZIARRFLJKER-UHFFFAOYSA-N
XLogP3.43
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide (CID 90973263) is N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide is CCCNCCOc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is XTVZIARRFLJKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-13-24-14-16-29-20-11-5-17(6-12-20)22(27)25-18-7-9-19(10-8-18)26-23(28)21-4-3-15-30-21/h5-12,21,24H,2-4,13-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide?
N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 90973263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).