3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide

C19H26N4O5 — CID 37394425

IUPAC3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)NCCCn2cccn2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O5/c1-13(18(24)20-7-5-9-23-10-6-8-21-23)22-19(25)14-11-15(26-2)17(28-4)16(12-14)27-3/h6,8,10-13H,5,7,9H2,1-4H3,(H,20,24)(H,22,25)/t13-/m1/s1
InChIKeyYHDAXZYVZOJBPE-CYBMUJFWSA-N
MW390.44 g/mol
LogP1.23
Rot. Bonds10

About 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide

3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide (PubChem CID 37394425) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide
PubChem CID37394425
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)NCCCn2cccn2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O5/c1-13(18(24)20-7-5-9-23-10-6-8-21-23)22-19(25)14-11-15(26-2)17(28-4)16(12-14)27-3/h6,8,10-13H,5,7,9H2,1-4H3,(H,20,24)(H,22,25)/t13-/m1/s1
InChIKeyYHDAXZYVZOJBPE-CYBMUJFWSA-N
XLogP1.23
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide
CID 43008482
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37392929
2-methyl-1-(3-pyrazol-1-ylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377187
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
CID 37394224
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94168661
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide (CID 37394425) is 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide is COc1cc(C(=O)N[C@H](C)C(=O)NCCCn2cccn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide?
The InChIKey is YHDAXZYVZOJBPE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-13(18(24)20-7-5-9-23-10-6-8-21-23)22-19(25)14-11-15(26-2)17(28-4)16(12-14)27-3/h6,8,10-13H,5,7,9H2,1-4H3,(H,20,24)(H,22,25)/t13-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide?
3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 1.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide is sourced from PubChem (CID 37394425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).