N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide

C17H23N3O2 — CID 95753651

IUPACN-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide
SMILESCc1cccc2c1cnn2CCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-12-6-5-7-14-13(12)10-19-20(14)9-8-16(22)18-11-15(21)17(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,18,22)
InChIKeyNVSAGQFDKHMIQL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.47
Rot. Bonds5

About N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide

N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide (PubChem CID 95753651) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide
PubChem CID95753651
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide
SMILESCc1cccc2c1cnn2CCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-12-6-5-7-14-13(12)10-19-20(14)9-8-16(22)18-11-15(21)17(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,18,22)
InChIKeyNVSAGQFDKHMIQL-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56686282
3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947424
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
CID 95744356
3-(4-methylindazol-1-yl)-1-(4-prop-2-enyl-1,4-diazepan-1-yl)propan-1-one
CID 95749924
3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740732
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
ethyl 3-(4-bromoindazol-1-yl)propanoate
CID 67236964
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole
CID 168918626
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide (CID 95753651) is N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide is Cc1cccc2c1cnn2CCC(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide?
The InChIKey is NVSAGQFDKHMIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-6-5-7-14-13(12)10-19-20(14)9-8-16(22)18-11-15(21)17(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,18,22).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide?
N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-3-(4-methylindazol-1-yl)propanamide is sourced from PubChem (CID 95753651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).