N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide

C14H17FN2O3 — CID 142980585

IUPACN-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
SMILESCOc1cc(CCC(=O)NCC#N)ccc1OCCF
InChIInChI=1S/C14H17FN2O3/c1-19-13-10-11(2-4-12(13)20-9-6-15)3-5-14(18)17-8-7-16/h2,4,10H,3,5-6,8-9H2,1H3,(H,17,18)
InChIKeyGELWBYMOZVDUHZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.62
Rot. Bonds8

About N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide

N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide (PubChem CID 142980585) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
PubChem CID142980585
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
SMILESCOc1cc(CCC(=O)NCC#N)ccc1OCCF
InChIInChI=1S/C14H17FN2O3/c1-19-13-10-11(2-4-12(13)20-9-6-15)3-5-14(18)17-8-7-16/h2,4,10H,3,5-6,8-9H2,1H3,(H,17,18)
InChIKeyGELWBYMOZVDUHZ-UHFFFAOYSA-N
XLogP1.62
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide
CID 142980593
N-[(4-chlorophenyl)-cyanomethyl]-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
CID 23114945
2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid
CID 92924035
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanamide
CID 142980584
N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide
CID 58655009
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 47091557
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide?
The IUPAC name of N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide (CID 142980585) is N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide.
What is the SMILES notation for N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide?
The canonical SMILES for N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide is COc1cc(CCC(=O)NCC#N)ccc1OCCF.
What is the InChIKey of N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide?
The InChIKey is GELWBYMOZVDUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-19-13-10-11(2-4-12(13)20-9-6-15)3-5-14(18)17-8-7-16/h2,4,10H,3,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide?
N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide has a molecular weight of 280.30 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide is sourced from PubChem (CID 142980585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).