2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide

C16H26N4O2 — CID 94669069

IUPAC2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCC(=O)N(C)CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-11(21)19(5)10-15(22)18-13-7-6-8-14-12(13)9-17-20(14)16(2,3)4/h9,13H,6-8,10H2,1-5H3,(H,18,22)/t13-/m0/s1
InChIKeyIVRJDLDTRXQIJF-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.61
Rot. Bonds3

About 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide

2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide (PubChem CID 94669069) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
PubChem CID94669069
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCC(=O)N(C)CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-11(21)19(5)10-15(22)18-13-7-6-8-14-12(13)9-17-20(14)16(2,3)4/h9,13H,6-8,10H2,1-5H3,(H,18,22)/t13-/m0/s1
InChIKeyIVRJDLDTRXQIJF-ZDUSSCGKSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 95384960
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 124742117
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 56731356
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 94379747
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 52514919
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94482718
(E)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 94801450
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 52531470

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide (CID 94669069) is 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide is CC(=O)N(C)CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The InChIKey is IVRJDLDTRXQIJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(21)19(5)10-15(22)18-13-7-6-8-14-12(13)9-17-20(14)16(2,3)4/h9,13H,6-8,10H2,1-5H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide is sourced from PubChem (CID 94669069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).