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

C23H31N3O3 — CID 90315360

IUPACN-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1cc(C)c(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C23H31N3O3/c1-5-12-28-23-13-16(2)22(14-24-23)26-11-10-21(15-26)29-20-8-6-19(7-9-20)17(3)25-18(4)27/h6-9,13-14,17,21H,5,10-12,15H2,1-4H3,(H,25,27)/t17-,21?/m0/s1
InChIKeyMOQBGYCZIWMLSD-PBVYKCSPSA-N
MW397.52 g/mol
LogP4.03
Rot. Bonds8

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

N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 90315360) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID90315360
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1cc(C)c(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1
InChIInChI=1S/C23H31N3O3/c1-5-12-28-23-13-16(2)22(14-24-23)26-11-10-21(15-26)29-20-8-6-19(7-9-20)17(3)25-18(4)27/h6-9,13-14,17,21H,5,10-12,15H2,1-4H3,(H,25,27)/t17-,21?/m0/s1
InChIKeyMOQBGYCZIWMLSD-PBVYKCSPSA-N
XLogP4.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.03
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-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 90315360) is N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCCOc1cc(C)c(N2CCC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1.
What is the InChIKey of N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is MOQBGYCZIWMLSD-PBVYKCSPSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-12-28-23-13-16(2)22(14-24-23)26-11-10-21(15-26)29-20-8-6-19(7-9-20)17(3)25-18(4)27/h6-9,13-14,17,21H,5,10-12,15H2,1-4H3,(H,25,27)/t17-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 4.03, 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-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 90315360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).