(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide

C24H30N4O — CID 95122747

IUPAC(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)[C@@](C)(Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H30N4O/c1-5-27(17-20-16-25-28(6-2)18-20)23(29)24(4,21-10-8-7-9-11-21)26-22-14-12-19(3)13-15-22/h7-16,18,26H,5-6,17H2,1-4H3/t24-/m0/s1
InChIKeyJHZGMUZCWUPLSX-DEOSSOPVSA-N
MW390.53 g/mol
LogP4.59
Rot. Bonds8

About (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide

(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide (PubChem CID 95122747) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
PubChem CID95122747
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)[C@@](C)(Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H30N4O/c1-5-27(17-20-16-25-28(6-2)18-20)23(29)24(4,21-10-8-7-9-11-21)26-22-14-12-19(3)13-15-22/h7-16,18,26H,5-6,17H2,1-4H3/t24-/m0/s1
InChIKeyJHZGMUZCWUPLSX-DEOSSOPVSA-N
XLogP4.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
CID 131935332
(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide
CID 94601600
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide
CID 50974721
2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
3-[tert-butyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 62125700
N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131918728
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
CID 63084667
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 121496517
ethyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569198

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
The IUPAC name of (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide (CID 95122747) is (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
The canonical SMILES for (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide is CCN(Cc1cnn(CC)c1)C(=O)[C@@](C)(Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
The InChIKey is JHZGMUZCWUPLSX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N4O/c1-5-27(17-20-16-25-28(6-2)18-20)23(29)24(4,21-10-8-7-9-11-21)26-22-14-12-19(3)13-15-22/h7-16,18,26H,5-6,17H2,1-4H3/t24-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide?
(2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide has a molecular weight of 390.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylanilino)-2-phenylpropanamide is sourced from PubChem (CID 95122747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).