N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide

C22H30N6O3 — CID 55830518

IUPACN-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C22H30N6O3/c1-4-27(13-21(30)25-19-9-7-18(8-10-19)24-16(3)29)14-22(31)26-20-11-12-23-28(20)15(2)17-5-6-17/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyUIMOBILTGNAFDR-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.71
Rot. Bonds10

About N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide (PubChem CID 55830518) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide
PubChem CID55830518
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC NameN-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C22H30N6O3/c1-4-27(13-21(30)25-19-9-7-18(8-10-19)24-16(3)29)14-22(31)26-20-11-12-23-28(20)15(2)17-5-6-17/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyUIMOBILTGNAFDR-UHFFFAOYSA-N
XLogP2.71
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
N-(3-chlorophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 60509085
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 95625489
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide
CID 51225610
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78964876
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide (CID 55830518) is N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccnn1C(C)C1CC1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is UIMOBILTGNAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-4-27(13-21(30)25-19-9-7-18(8-10-19)24-16(3)29)14-22(31)26-20-11-12-23-28(20)15(2)17-5-6-17/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 426.52 g/mol, XLogP of 2.71, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 55830518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).