N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide

C21H25N3O3 — CID 44579996

IUPACN-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)23-17-9-11-19(12-10-17)24(14-18-6-5-13-22-18)21(26)15-27-20-7-3-2-4-8-20/h2-4,7-12,18,22H,5-6,13-15H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyJRWJUADDJQQVNS-GOSISDBHSA-N
MW367.45 g/mol
LogP2.81
Rot. Bonds7

About N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide

N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide (PubChem CID 44579996) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
PubChem CID44579996
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)23-17-9-11-19(12-10-17)24(14-18-6-5-13-22-18)21(26)15-27-20-7-3-2-4-8-20/h2-4,7-12,18,22H,5-6,13-15H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyJRWJUADDJQQVNS-GOSISDBHSA-N
XLogP2.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 44579998
N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
CID 113095099
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-phenoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]acetamide
CID 104971951
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
3-phenyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613236
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119717935
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
CID 82297605
N-(cyclobutylmethyl)-N-phenyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807499

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide (CID 44579996) is N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide is CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)COc2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is JRWJUADDJQQVNS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)23-17-9-11-19(12-10-17)24(14-18-6-5-13-22-18)21(26)15-27-20-7-3-2-4-8-20/h2-4,7-12,18,22H,5-6,13-15H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide?
N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 44579996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).