N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide

C18H23N5O3 — CID 167898226

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C18H23N5O3/c1-4-23(18(26)11-16-9-10-22(3)21-16)12-17(25)20-15-7-5-14(6-8-15)19-13(2)24/h5-10H,4,11-12H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyUBPMQFUZZMHKHK-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.41
Rot. Bonds7

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide (PubChem CID 167898226) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide
PubChem CID167898226
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C18H23N5O3/c1-4-23(18(26)11-16-9-10-22(3)21-16)12-17(25)20-15-7-5-14(6-8-15)19-13(2)24/h5-10H,4,11-12H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyUBPMQFUZZMHKHK-UHFFFAOYSA-N
XLogP1.41
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide
CID 8557859
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42908781
methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
CID 61383483
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylacetamide
CID 11931860
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 18077818
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8791575
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide
CID 8975349
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide (CID 167898226) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1ccn(C)n1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is UBPMQFUZZMHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-23(18(26)11-16-9-10-22(3)21-16)12-17(25)20-15-7-5-14(6-8-15)19-13(2)24/h5-10H,4,11-12H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 167898226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).