2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide

C20H26N4O3 — CID 91830482

IUPAC2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide
SMILESCN(C)C(C(=O)NCCCn1nccc1C1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H26N4O3/c1-23(2)19(15-6-7-17-18(12-15)27-13-26-17)20(25)21-9-3-11-24-16(8-10-22-24)14-4-5-14/h6-8,10,12,14,19H,3-5,9,11,13H2,1-2H3,(H,21,25)
InChIKeyPHEOIOFYTBXPGO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.30
Rot. Bonds8

About 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide

2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide (PubChem CID 91830482) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide
PubChem CID91830482
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide
SMILESCN(C)C(C(=O)NCCCn1nccc1C1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H26N4O3/c1-23(2)19(15-6-7-17-18(12-15)27-13-26-17)20(25)21-9-3-11-24-16(8-10-22-24)14-4-5-14/h6-8,10,12,14,19H,3-5,9,11,13H2,1-2H3,(H,21,25)
InChIKeyPHEOIOFYTBXPGO-UHFFFAOYSA-N
XLogP2.30
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 91793731
(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
CID 126443756
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119061342
(2R)-2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 124855091
2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 91837794
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91763538
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 136527189
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91798352
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118782202
1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
CID 91837261
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide (CID 91830482) is 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide is CN(C)C(C(=O)NCCCn1nccc1C1CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide?
The InChIKey is PHEOIOFYTBXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23(2)19(15-6-7-17-18(12-15)27-13-26-17)20(25)21-9-3-11-24-16(8-10-22-24)14-4-5-14/h6-8,10,12,14,19H,3-5,9,11,13H2,1-2H3,(H,21,25).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide?
2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 91830482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).