N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide

C19H22N2O2 — CID 56716664

IUPACN-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(22)20-17-7-9-18(10-8-17)23-19-6-4-5-16(13-19)14-21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyXRCDZHYVZAQOAA-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.03
Rot. Bonds5

About N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide

N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide (PubChem CID 56716664) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
PubChem CID56716664
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(22)20-17-7-9-18(10-8-17)23-19-6-4-5-16(13-19)14-21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyXRCDZHYVZAQOAA-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
[3-(pyrrolidin-1-ylmethyl)phenyl] 3-oxobutanoate
CID 67782221
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131895443

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide (CID 56716664) is N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2cccc(CN3CCCC3)c2)cc1.
What is the InChIKey of N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide?
The InChIKey is XRCDZHYVZAQOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(22)20-17-7-9-18(10-8-17)23-19-6-4-5-16(13-19)14-21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide?
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 56716664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).