N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide

C17H24N2O4 — CID 108541899

IUPACN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-14-7-5-13(6-8-14)12-16(20)18-9-10-19-17(21)15-4-3-11-23-15/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyXQDADSYMOAYBAJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.04
Rot. Bonds8

About N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 108541899) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID108541899
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-14-7-5-13(6-8-14)12-16(20)18-9-10-19-17(21)15-4-3-11-23-15/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyXQDADSYMOAYBAJ-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
(2R)-N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]oxolane-2-carboxamide
CID 124881098
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541523
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
CID 108539293
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide (CID 108541899) is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide is CCOc1ccc(CC(=O)NCCNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is XQDADSYMOAYBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-22-14-7-5-13(6-8-14)12-16(20)18-9-10-19-17(21)15-4-3-11-23-15/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 108541899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).