N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide

C16H25N3O2 — CID 133108337

IUPACN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC1NNC(C)C1CCN(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C16H25N3O2/c1-11-15(12(2)18-17-11)7-8-19(3)16(21)10-13-5-4-6-14(20)9-13/h4-6,9,11-12,15,17-18,20H,7-8,10H2,1-3H3
InChIKeyPGPSUXUWNWSUHI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.28
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide

N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 133108337) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID133108337
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC1NNC(C)C1CCN(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C16H25N3O2/c1-11-15(12(2)18-17-11)7-8-19(3)16(21)10-13-5-4-6-14(20)9-13/h4-6,9,11-12,15,17-18,20H,7-8,10H2,1-3H3
InChIKeyPGPSUXUWNWSUHI-UHFFFAOYSA-N
XLogP1.28
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide
CID 113239258
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
N-[(3-bromocyclobutyl)methyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 80673108
N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide
CID 61399713
2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187167
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 54991694
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
N-(3-aminopropyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 61399131

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide (CID 133108337) is N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide is CC1NNC(C)C1CCN(C)C(=O)Cc1cccc(O)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is PGPSUXUWNWSUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-15(12(2)18-17-11)7-8-19(3)16(21)10-13-5-4-6-14(20)9-13/h4-6,9,11-12,15,17-18,20H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 133108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).