2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide

C16H22FNO3 — CID 86866435

IUPAC2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide
SMILESCC(OCC1CC1)C(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-12(21-11-13-3-4-13)16(19)18-9-2-10-20-15-7-5-14(17)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyQNQBWQWEUJSSDK-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.53
Rot. Bonds9

About 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide

2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide (PubChem CID 86866435) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide
PubChem CID86866435
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide
SMILESCC(OCC1CC1)C(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-12(21-11-13-3-4-13)16(19)18-9-2-10-20-15-7-5-14(17)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyQNQBWQWEUJSSDK-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
1-(cyclopropylmethyl)-3-[3-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111870100
N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307321
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100562896
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 95161756

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide (CID 86866435) is 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide is CC(OCC1CC1)C(=O)NCCCOc1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide?
The InChIKey is QNQBWQWEUJSSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-12(21-11-13-3-4-13)16(19)18-9-2-10-20-15-7-5-14(17)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide?
2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide has a molecular weight of 295.35 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[3-(4-fluorophenoxy)propyl]propanamide is sourced from PubChem (CID 86866435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).