N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C24H26N4O3 — CID 52663080

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O3/c1-5-28(20-9-7-6-8-10-20)21(29)15-18-11-13-19(14-12-18)25-24(31)23(30)22-16(2)26-27(4)17(22)3/h6-14H,5,15H2,1-4H3,(H,25,31)
InChIKeyDUKLRUCTQZSKOU-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.45
Rot. Bonds7

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 52663080) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID52663080
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O3/c1-5-28(20-9-7-6-8-10-20)21(29)15-18-11-13-19(14-12-18)25-24(31)23(30)22-16(2)26-27(4)17(22)3/h6-14H,5,15H2,1-4H3,(H,25,31)
InChIKeyDUKLRUCTQZSKOU-UHFFFAOYSA-N
XLogP3.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide
CID 17458643
N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52554768
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]propanamide
CID 52663082
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 27054340
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119717943

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 52663080) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCN(C(=O)Cc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is DUKLRUCTQZSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-5-28(20-9-7-6-8-10-20)21(29)15-18-11-13-19(14-12-18)25-24(31)23(30)22-16(2)26-27(4)17(22)3/h6-14H,5,15H2,1-4H3,(H,25,31).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 52663080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).