N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide

C20H24N2O3 — CID 112981200

IUPACN-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c23-20(12-14-25-18-5-2-1-3-6-18)22-17-10-8-16(9-11-17)21-15-19-7-4-13-24-19/h1-3,5-6,8-11,19,21H,4,7,12-15H2,(H,22,23)
InChIKeyOYYHRQOZNIMTCU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds8

About N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide

N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide (PubChem CID 112981200) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
PubChem CID112981200
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c23-20(12-14-25-18-5-2-1-3-6-18)22-17-10-8-16(9-11-17)21-15-19-7-4-13-24-19/h1-3,5-6,8-11,19,21H,4,7,12-15H2,(H,22,23)
InChIKeyOYYHRQOZNIMTCU-UHFFFAOYSA-N
XLogP3.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
CID 55527219
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981224
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719612

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide (CID 112981200) is N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide?
The InChIKey is OYYHRQOZNIMTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(12-14-25-18-5-2-1-3-6-18)22-17-10-8-16(9-11-17)21-15-19-7-4-13-24-19/h1-3,5-6,8-11,19,21H,4,7,12-15H2,(H,22,23).
What are the key properties of N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide?
N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 112981200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).