N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide

C16H24N2O3 — CID 119548783

IUPACN-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C16H24N2O3/c1-12(21-11-15-3-2-10-20-15)16(19)18-9-8-13-4-6-14(17)7-5-13/h4-7,12,15H,2-3,8-11,17H2,1H3,(H,18,19)
InChIKeyUTGVHFZGMDHODW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide

N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 119548783) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID119548783
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C16H24N2O3/c1-12(21-11-15-3-2-10-20-15)16(19)18-9-8-13-4-6-14(17)7-5-13/h4-7,12,15H,2-3,8-11,17H2,1H3,(H,18,19)
InChIKeyUTGVHFZGMDHODW-UHFFFAOYSA-N
XLogP1.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
CID 119996178
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8561650
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94813622
(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 99788812
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide (CID 119548783) is N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide is CC(OCC1CCCO1)C(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is UTGVHFZGMDHODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(21-11-15-3-2-10-20-15)16(19)18-9-8-13-4-6-14(17)7-5-13/h4-7,12,15H,2-3,8-11,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide?
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 119548783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).