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

C21H24N2O4 — CID 113062539

IUPACN-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-16(24)23(14-13-22-21(25)20-8-5-15-26-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-15H2,1H3,(H,22,25)
InChIKeyCHYSFTKNQGQZDG-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.13
Rot. Bonds7

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

N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide (PubChem CID 113062539) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
PubChem CID113062539
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-16(24)23(14-13-22-21(25)20-8-5-15-26-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-15H2,1H3,(H,22,25)
InChIKeyCHYSFTKNQGQZDG-UHFFFAOYSA-N
XLogP3.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059012
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
CID 113061366
N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
CID 113058185
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
CID 42708287
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide (CID 113062539) is N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide is CC(=O)N(CCNC(=O)C1CCCO1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is CHYSFTKNQGQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16(24)23(14-13-22-21(25)20-8-5-15-26-20)17-9-11-19(12-10-17)27-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-15H2,1H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide?
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113062539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).