2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide

C24H28N4O3 — CID 46426764

IUPAC2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCCc1cn(-c2ccccc2)nc1C
InChIInChI=1S/C24H28N4O3/c1-3-31-22-14-8-7-13-21(22)24(30)26-16-23(29)25-15-9-10-19-17-28(27-18(19)2)20-11-5-4-6-12-20/h4-8,11-14,17H,3,9-10,15-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyMHGGRCMQIPSPEJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.06
Rot. Bonds10

About 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide (PubChem CID 46426764) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide
PubChem CID46426764
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCCc1cn(-c2ccccc2)nc1C
InChIInChI=1S/C24H28N4O3/c1-3-31-22-14-8-7-13-21(22)24(30)26-16-23(29)25-15-9-10-19-17-28(27-18(19)2)20-11-5-4-6-12-20/h4-8,11-14,17H,3,9-10,15-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyMHGGRCMQIPSPEJ-UHFFFAOYSA-N
XLogP3.06
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551887
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
ethyl (3R)-3-hydroxy-4-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-4-oxobutanoate
CID 124734868
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 55719016
ethyl 4-[N'-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162834
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-(2-cyanophenyl)sulfanyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 60545040

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide (CID 46426764) is 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCCCc1cn(-c2ccccc2)nc1C.
What is the InChIKey of 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide?
The InChIKey is MHGGRCMQIPSPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-31-22-14-8-7-13-21(22)24(30)26-16-23(29)25-15-9-10-19-17-28(27-18(19)2)20-11-5-4-6-12-20/h4-8,11-14,17H,3,9-10,15-16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46426764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).