N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C21H27N3O3 — CID 91668593

IUPACN-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCOc1cc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1
InChIInChI=1S/C21H27N3O3/c1-4-26-21-13-18(9-11-22-21)24-12-10-20(14-24)27-19-7-5-17(6-8-19)15(2)23-16(3)25/h5-9,11,13,15,20H,4,10,12,14H2,1-3H3,(H,23,25)/t15-,20?/m0/s1
InChIKeyJJACLFZMIBPYLO-OOJLDXBWSA-N
MW369.47 g/mol
LogP3.34
Rot. Bonds7

About N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668593) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668593
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCOc1cc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1
InChIInChI=1S/C21H27N3O3/c1-4-26-21-13-18(9-11-22-21)24-12-10-20(14-24)27-19-7-5-17(6-8-19)15(2)23-16(3)25/h5-9,11,13,15,20H,4,10,12,14H2,1-3H3,(H,23,25)/t15-,20?/m0/s1
InChIKeyJJACLFZMIBPYLO-OOJLDXBWSA-N
XLogP3.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668593) is N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCOc1cc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is JJACLFZMIBPYLO-OOJLDXBWSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-26-21-13-18(9-11-22-21)24-12-10-20(14-24)27-19-7-5-17(6-8-19)15(2)23-16(3)25/h5-9,11,13,15,20H,4,10,12,14H2,1-3H3,(H,23,25)/t15-,20?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(2-ethoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).