2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

C18H30N4O — CID 133108304

IUPAC2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CC1C(C)NNC1C)c1cccc(C)c1
InChIInChI=1S/C18H30N4O/c1-5-22(16-8-6-7-13(2)11-16)10-9-19-18(23)12-17-14(3)20-21-15(17)4/h6-8,11,14-15,17,20-21H,5,9-10,12H2,1-4H3,(H,19,23)
InChIKeyTWHZCBAGQXCGBG-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.83
Rot. Bonds7

About 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (PubChem CID 133108304) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
PubChem CID133108304
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CC1C(C)NNC1C)c1cccc(C)c1
InChIInChI=1S/C18H30N4O/c1-5-22(16-8-6-7-13(2)11-16)10-9-19-18(23)12-17-14(3)20-21-15(17)4/h6-8,11,14-15,17,20-21H,5,9-10,12H2,1-4H3,(H,19,23)
InChIKeyTWHZCBAGQXCGBG-UHFFFAOYSA-N
XLogP1.83
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
CID 25353106
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
2-[[N-[2-(N-ethyl-3-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 111330654
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 46532633
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 78833214

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (CID 133108304) is 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is CCN(CCNC(=O)CC1C(C)NNC1C)c1cccc(C)c1.
What is the InChIKey of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The InChIKey is TWHZCBAGQXCGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-22(16-8-6-7-13(2)11-16)10-9-19-18(23)12-17-14(3)20-21-15(17)4/h6-8,11,14-15,17,20-21H,5,9-10,12H2,1-4H3,(H,19,23).
What are the key properties of 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is sourced from PubChem (CID 133108304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).