N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C17H24N4O3 — CID 51092478

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(N2CCC(C)=N2)cc1
InChIInChI=1S/C17H24N4O3/c1-13-8-11-21(20-13)15-5-3-14(4-6-15)17(23)19-9-7-16(22)18-10-12-24-2/h3-6H,7-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLYEYJHOVDKPBFF-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.16
Rot. Bonds8

About N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 51092478) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID51092478
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(N2CCC(C)=N2)cc1
InChIInChI=1S/C17H24N4O3/c1-13-8-11-21(20-13)15-5-3-14(4-6-15)17(23)19-9-7-16(22)18-10-12-24-2/h3-6H,7-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLYEYJHOVDKPBFF-UHFFFAOYSA-N
XLogP1.16
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.16
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

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide
CID 103956667
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 87040971
N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94650817
3,4-dihydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103956666
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
CID 120695407
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
CID 55699387
methyl (2R)-2-methyl-3-[methyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 95045095

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 51092478) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is COCCNC(=O)CCNC(=O)c1ccc(N2CCC(C)=N2)cc1.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is LYEYJHOVDKPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-8-11-21(20-13)15-5-3-14(4-6-15)17(23)19-9-7-16(22)18-10-12-24-2/h3-6H,7-12H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 332.40 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 51092478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).