N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C21H27N3O3 — CID 90315328

IUPACN-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C21H27N3O3/c1-4-26-21-10-7-18(13-22-21)24-12-11-20(14-24)27-19-8-5-17(6-9-19)15(2)23-16(3)25/h5-10,13,15,20H,4,11-12,14H2,1-3H3,(H,23,25)/t15-,20?/m0/s1
InChIKeyREJFSGIXPXYPPU-OOJLDXBWSA-N
MW369.47 g/mol
LogP3.34
Rot. Bonds7

About N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315328) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315328
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C21H27N3O3/c1-4-26-21-10-7-18(13-22-21)24-12-11-20(14-24)27-19-8-5-17(6-9-19)15(2)23-16(3)25/h5-10,13,15,20H,4,11-12,14H2,1-3H3,(H,23,25)/t15-,20?/m0/s1
InChIKeyREJFSGIXPXYPPU-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-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315328) is N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is REJFSGIXPXYPPU-OOJLDXBWSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-26-21-10-7-18(13-22-21)24-12-11-20(14-24)27-19-8-5-17(6-9-19)15(2)23-16(3)25/h5-10,13,15,20H,4,11-12,14H2,1-3H3,(H,23,25)/t15-,20?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(6-ethoxy-3-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-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).