N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide

C19H22N2O2 — CID 138534083

IUPACN-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O2/c1-15(22)20-17-11-12-21(13-17)18-7-9-19(10-8-18)23-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,20,22)
InChIKeyOEDHRWCCILWGKN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.98
Rot. Bonds5

About N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide

N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 138534083) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
PubChem CID138534083
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O2/c1-15(22)20-17-11-12-21(13-17)18-7-9-19(10-8-18)23-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,20,22)
InChIKeyOEDHRWCCILWGKN-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21260549
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
CID 129274837
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
N-[(3S)-1-[4-(diaminomethylideneamino)phenyl]pyrrolidin-3-yl]acetamide
CID 68687226
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 10246762
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide (CID 138534083) is N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is OEDHRWCCILWGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(22)20-17-11-12-21(13-17)18-7-9-19(10-8-18)23-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide?
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 138534083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).