N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide

C28H35N3O3 — CID 3975889

IUPACN-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)c1c(CC)[nH]n(-c2ccccc2CC)c1=O)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C28H35N3O3/c1-5-18-30(27(33)22(7-3)21-15-10-9-11-16-21)19-25(32)26-23(8-4)29-31(28(26)34)24-17-13-12-14-20(24)6-2/h9-17,22,29H,5-8,18-19H2,1-4H3
InChIKeyLKENSHYNTKRRDL-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.91
Rot. Bonds11

About N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide

N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide (PubChem CID 3975889) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide
PubChem CID3975889
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)c1c(CC)[nH]n(-c2ccccc2CC)c1=O)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C28H35N3O3/c1-5-18-30(27(33)22(7-3)21-15-10-9-11-16-21)19-25(32)26-23(8-4)29-31(28(26)34)24-17-13-12-14-20(24)6-2/h9-17,22,29H,5-8,18-19H2,1-4H3
InChIKeyLKENSHYNTKRRDL-UHFFFAOYSA-N
XLogP4.91
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[2-(2-ethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-N-propylbenzamide
CID 3984894
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
CID 4545612
N-butyl-4-chloro-N-[2-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3992944
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4606813
(2S)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propylbutanamide
CID 7351370
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42773075
N-[2-[butan-2-yl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42664513

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The IUPAC name of N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide (CID 3975889) is N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide.
What is the SMILES notation for N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The canonical SMILES for N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide is CCCN(CC(=O)c1c(CC)[nH]n(-c2ccccc2CC)c1=O)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The InChIKey is LKENSHYNTKRRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-5-18-30(27(33)22(7-3)21-15-10-9-11-16-21)19-25(32)26-23(8-4)29-31(28(26)34)24-17-13-12-14-20(24)6-2/h9-17,22,29H,5-8,18-19H2,1-4H3.
What are the key properties of N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide has a molecular weight of 461.61 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethyl-2-(2-ethylphenyl)-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide is sourced from PubChem (CID 3975889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).