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

C22H29N3O3 — CID 91668586

IUPACN-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C22H29N3O3/c1-4-13-27-22-10-7-19(14-23-22)25-12-11-21(15-25)28-20-8-5-18(6-9-20)16(2)24-17(3)26/h5-10,14,16,21H,4,11-13,15H2,1-3H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyBJCKMOXMIRQAFR-BJQOMGFOSA-N
MW383.49 g/mol
LogP3.73
Rot. Bonds8

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

N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91668586) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91668586
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C22H29N3O3/c1-4-13-27-22-10-7-19(14-23-22)25-12-11-21(15-25)28-20-8-5-18(6-9-20)16(2)24-17(3)26/h5-10,14,16,21H,4,11-13,15H2,1-3H3,(H,24,26)/t16-,21?/m0/s1
InChIKeyBJCKMOXMIRQAFR-BJQOMGFOSA-N
XLogP3.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.73
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-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91668586) is N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCCOc1ccc(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is BJCKMOXMIRQAFR-BJQOMGFOSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-13-27-22-10-7-19(14-23-22)25-12-11-21(15-25)28-20-8-5-18(6-9-20)16(2)24-17(3)26/h5-10,14,16,21H,4,11-13,15H2,1-3H3,(H,24,26)/t16-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.73, 8 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-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91668586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).