(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide

C20H28N4O3 — CID 97099240

IUPAC(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C[C@@H](C)c1c(C)n[nH]c1C
InChIInChI=1S/C20H28N4O3/c1-6-24(12-18(25)21-16-8-7-9-17(11-16)27-5)19(26)10-13(2)20-14(3)22-23-15(20)4/h7-9,11,13H,6,10,12H2,1-5H3,(H,21,25)(H,22,23)/t13-/m1/s1
InChIKeyKQHGJMYGAYSSQN-CYBMUJFWSA-N
MW372.47 g/mol
LogP3.02
Rot. Bonds8

About (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide (PubChem CID 97099240) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide
PubChem CID97099240
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C[C@@H](C)c1c(C)n[nH]c1C
InChIInChI=1S/C20H28N4O3/c1-6-24(12-18(25)21-16-8-7-9-17(11-16)27-5)19(26)10-13(2)20-14(3)22-23-15(20)4/h7-9,11,13H,6,10,12H2,1-5H3,(H,21,25)(H,22,23)/t13-/m1/s1
InChIKeyKQHGJMYGAYSSQN-CYBMUJFWSA-N
XLogP3.02
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 97329159
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 55484737
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 34778386
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46582138
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55702362
N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 60592438

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide?
The IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide (CID 97099240) is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C[C@@H](C)c1c(C)n[nH]c1C.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide?
The InChIKey is KQHGJMYGAYSSQN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-6-24(12-18(25)21-16-8-7-9-17(11-16)27-5)19(26)10-13(2)20-14(3)22-23-15(20)4/h7-9,11,13H,6,10,12H2,1-5H3,(H,21,25)(H,22,23)/t13-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide?
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide has a molecular weight of 372.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 97099240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).