N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C24H26N4O3 — CID 5307131

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCN(CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1cccc(C)c1
InChIInChI=1S/C24H26N4O3/c1-3-27(18-9-6-8-17(2)14-18)13-7-12-25-22(29)16-28-23-19-10-4-5-11-21(19)31-24(30)20(23)15-26-28/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,25,29)
InChIKeyYVASLADBIPVROB-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.48
Rot. Bonds8

About N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5307131) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5307131
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCN(CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1cccc(C)c1
InChIInChI=1S/C24H26N4O3/c1-3-27(18-9-6-8-17(2)14-18)13-7-12-25-22(29)16-28-23-19-10-4-5-11-21(19)31-24(30)20(23)15-26-28/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,25,29)
InChIKeyYVASLADBIPVROB-UHFFFAOYSA-N
XLogP3.48
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide 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

ethane;2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propylacetamide
CID 91515379
N-[2-[benzyl(methyl)amino]ethyl]-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867860
N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855542
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20873112
N-[3-(N-ethyl-3-methylanilino)propyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4062779
ethane;1-(2-oxopropyl)chromeno[3,4-d]pyrazol-4-one
CID 91292022
N-(3-chlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6622016
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867825
N-[3-(N-ethyl-3-methylanilino)propyl]-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 22514307
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548672
N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867891
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660980

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5307131) is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is CCN(CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is YVASLADBIPVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-27(18-9-6-8-17(2)14-18)13-7-12-25-22(29)16-28-23-19-10-4-5-11-21(19)31-24(30)20(23)15-26-28/h4-6,8-11,14-15H,3,7,12-13,16H2,1-2H3,(H,25,29).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5307131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).