N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide

C22H24N2O2 — CID 86900012

IUPACN-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESC#CCOc1ccc(N(C)C(=O)C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-17-26-20-13-11-19(12-14-20)23(2)22(25)21(24-15-7-8-16-24)18-9-5-4-6-10-18/h1,4-6,9-14,21H,7-8,15-17H2,2H3
InChIKeyRSPXOHKLHNSJOH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.50
Rot. Bonds6

About N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide

N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 86900012) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID86900012
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESC#CCOc1ccc(N(C)C(=O)C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-17-26-20-13-11-19(12-14-20)23(2)22(25)21(24-15-7-8-16-24)18-9-5-4-6-10-18/h1,4-6,9-14,21H,7-8,15-17H2,2H3
InChIKeyRSPXOHKLHNSJOH-UHFFFAOYSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-phenyl-N-(4-prop-2-ynoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 84593484
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
N-methyl-N-(4-prop-2-ynoxyphenyl)-3-pyrrol-1-ylbenzamide
CID 86900039
1-(2-chlorophenyl)-N,5-dimethyl-N-(4-prop-2-ynoxyphenyl)pyrazole-4-carboxamide
CID 86939389
3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide
CID 100624954
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
CID 62496811
ethane;prop-2-ynoxybenzene
CID 144946264
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide
CID 75420147
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide (CID 86900012) is N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide is C#CCOc1ccc(N(C)C(=O)C(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is RSPXOHKLHNSJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-17-26-20-13-11-19(12-14-20)23(2)22(25)21(24-15-7-8-16-24)18-9-5-4-6-10-18/h1,4-6,9-14,21H,7-8,15-17H2,2H3.
What are the key properties of N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide?
N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 348.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(4-prop-2-ynoxyphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86900012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).