N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide

C19H26N4O2 — CID 50964350

IUPACN,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1ccc(NC(=O)C(C)C)c(C(=O)N(C)CCCn2cccn2)c1
InChIInChI=1S/C19H26N4O2/c1-14(2)18(24)21-17-8-7-15(3)13-16(17)19(25)22(4)10-6-12-23-11-5-9-20-23/h5,7-9,11,13-14H,6,10,12H2,1-4H3,(H,21,24)
InChIKeyHXHLYUCGTACQEW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.95
Rot. Bonds7

About N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide

N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 50964350) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID50964350
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1ccc(NC(=O)C(C)C)c(C(=O)N(C)CCCn2cccn2)c1
InChIInChI=1S/C19H26N4O2/c1-14(2)18(24)21-17-8-7-15(3)13-16(17)19(25)22(4)10-6-12-23-11-5-9-20-23/h5,7-9,11,13-14H,6,10,12H2,1-4H3,(H,21,24)
InChIKeyHXHLYUCGTACQEW-UHFFFAOYSA-N
XLogP2.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide
CID 50948874
N-butyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62510784
2-(ethylamino)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81074127
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
CID 63726038
N-ethyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62511241
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N,5-dimethyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509503
N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 91790665
1-methyl-1-[3-(4-methylphenyl)sulfanylpropyl]-3-(2-pyrazol-1-ylethyl)urea
CID 119064443
1-(2-hydroxy-5-methylphenyl)-3-pyrazol-1-ylpropan-1-one
CID 6424461
2-(ethylamino)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510547
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide (CID 50964350) is N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide is Cc1ccc(NC(=O)C(C)C)c(C(=O)N(C)CCCn2cccn2)c1.
What is the InChIKey of N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is HXHLYUCGTACQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)18(24)21-17-8-7-15(3)13-16(17)19(25)22(4)10-6-12-23-11-5-9-20-23/h5,7-9,11,13-14H,6,10,12H2,1-4H3,(H,21,24).
What are the key properties of N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide?
N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 50964350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).