N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide

C26H29FN2O3 — CID 68547880

IUPACN-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide
SMILESCCc1ccc(Oc2ccc(N(CCCN)C(C)=O)cc2F)c(OCc2ccccc2)c1
InChIInChI=1S/C26H29FN2O3/c1-3-20-10-12-25(26(16-20)31-18-21-8-5-4-6-9-21)32-24-13-11-22(17-23(24)27)29(19(2)30)15-7-14-28/h4-6,8-13,16-17H,3,7,14-15,18,28H2,1-2H3
InChIKeyWSJBTTPJUIYKQN-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.46
Rot. Bonds10

About N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide

N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide (PubChem CID 68547880) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide
PubChem CID68547880
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC NameN-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide
SMILESCCc1ccc(Oc2ccc(N(CCCN)C(C)=O)cc2F)c(OCc2ccccc2)c1
InChIInChI=1S/C26H29FN2O3/c1-3-20-10-12-25(26(16-20)31-18-21-8-5-4-6-9-21)32-24-13-11-22(17-23(24)27)29(19(2)30)15-7-14-28/h4-6,8-13,16-17H,3,7,14-15,18,28H2,1-2H3
InChIKeyWSJBTTPJUIYKQN-UHFFFAOYSA-N
XLogP5.46
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide?
The IUPAC name of N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide (CID 68547880) is N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide is CCc1ccc(Oc2ccc(N(CCCN)C(C)=O)cc2F)c(OCc2ccccc2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide?
The InChIKey is WSJBTTPJUIYKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3/c1-3-20-10-12-25(26(16-20)31-18-21-8-5-4-6-9-21)32-24-13-11-22(17-23(24)27)29(19(2)30)15-7-14-28/h4-6,8-13,16-17H,3,7,14-15,18,28H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide?
N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide has a molecular weight of 436.53 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]acetamide is sourced from PubChem (CID 68547880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).