N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide

C16H21FN2O3 — CID 58655009

IUPACN-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide
SMILESCCOc1cc(CCC(=O)NC(C)C#N)ccc1OCCF
InChIInChI=1S/C16H21FN2O3/c1-3-21-15-10-13(4-6-14(15)22-9-8-17)5-7-16(20)19-12(2)11-18/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,19,20)
InChIKeyHPODRWHSAQDTMF-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.39
Rot. Bonds9

About N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide

N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide (PubChem CID 58655009) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide
PubChem CID58655009
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide
SMILESCCOc1cc(CCC(=O)NC(C)C#N)ccc1OCCF
InChIInChI=1S/C16H21FN2O3/c1-3-21-15-10-13(4-6-14(15)22-9-8-17)5-7-16(20)19-12(2)11-18/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,19,20)
InChIKeyHPODRWHSAQDTMF-UHFFFAOYSA-N
XLogP2.39
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanoethyl)-3-[3-(2-fluoroethoxy)-4-prop-2-ynoxyphenyl]propanamide
CID 58655010
N-(1-cyanoethyl)-3-[4-(cyanomethoxy)-3-ethoxyphenyl]propanamide
CID 58655050
3-[3,4-bis(prop-2-ynoxy)phenyl]-N-(1-cyanoethyl)propanamide
CID 58655007
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
CID 142980585
N-[(4-chlorophenyl)-cyanomethyl]-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
CID 23114945
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
N-[(4-chlorophenyl)-cyanomethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 23103259
3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132658147
N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanamide
CID 142980584

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide?
The IUPAC name of N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide (CID 58655009) is N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide.
What is the SMILES notation for N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide?
The canonical SMILES for N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide is CCOc1cc(CCC(=O)NC(C)C#N)ccc1OCCF.
What is the InChIKey of N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide?
The InChIKey is HPODRWHSAQDTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-3-21-15-10-13(4-6-14(15)22-9-8-17)5-7-16(20)19-12(2)11-18/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,19,20).
What are the key properties of N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide?
N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide has a molecular weight of 308.35 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3-[3-ethoxy-4-(2-fluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 58655009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).