N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

C20H31N3O2 — CID 58222560

IUPACN-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CCC[C@H]2CN2CCCC2)cc1OC
InChIInChI=1S/C20H31N3O2/c1-3-16-8-9-17(13-19(16)25-2)21-20(24)15-23-12-6-7-18(23)14-22-10-4-5-11-22/h8-9,13,18H,3-7,10-12,14-15H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyPNPFVDCSCXMMTO-SFHVURJKSA-N
MW345.49 g/mol
LogP2.76
Rot. Bonds7

About N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 58222560) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID58222560
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CCC[C@H]2CN2CCCC2)cc1OC
InChIInChI=1S/C20H31N3O2/c1-3-16-8-9-17(13-19(16)25-2)21-20(24)15-23-12-6-7-18(23)14-22-10-4-5-11-22/h8-9,13,18H,3-7,10-12,14-15H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyPNPFVDCSCXMMTO-SFHVURJKSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 58222560) is N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide is CCc1ccc(NC(=O)CN2CCC[C@H]2CN2CCCC2)cc1OC.
What is the InChIKey of N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is PNPFVDCSCXMMTO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-16-8-9-17(13-19(16)25-2)21-20(24)15-23-12-6-7-18(23)14-22-10-4-5-11-22/h8-9,13,18H,3-7,10-12,14-15H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methoxyphenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 58222560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).