N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide

C17H26N2O3 — CID 18368353

IUPACN-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide
SMILESCCCNCCOc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-2-9-18-10-13-22-16-5-3-15(4-6-16)19-17(20)14-7-11-21-12-8-14/h3-6,14,18H,2,7-13H2,1H3,(H,19,20)
InChIKeyLJRAYUWLAFOAIX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.43
Rot. Bonds8

About N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide

N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide (PubChem CID 18368353) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide
PubChem CID18368353
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide
SMILESCCCNCCOc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-2-9-18-10-13-22-16-5-3-15(4-6-16)19-17(20)14-7-11-21-12-8-14/h3-6,14,18H,2,7-13H2,1H3,(H,19,20)
InChIKeyLJRAYUWLAFOAIX-UHFFFAOYSA-N
XLogP2.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.43
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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Related Compounds

2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
CID 90973263
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
tert-butyl N-[4-[2-(propylamino)ethoxy]phenyl]carbamate
CID 107243405
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
CID 108792203

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide (CID 18368353) is N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide is CCCNCCOc1ccc(NC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide?
The InChIKey is LJRAYUWLAFOAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-9-18-10-13-22-16-5-3-15(4-6-16)19-17(20)14-7-11-21-12-8-14/h3-6,14,18H,2,7-13H2,1H3,(H,19,20).
What are the key properties of N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide?
N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 18368353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).