2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

C20H27N5O2 — CID 55738803

IUPAC2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)NC2CCCc3c2cnn3C)c(C)c1
InChIInChI=1S/C20H27N5O2/c1-12-8-13(2)19(14(3)9-12)24-18(26)11-21-20(27)23-16-6-5-7-17-15(16)10-22-25(17)4/h8-10,16H,5-7,11H2,1-4H3,(H,24,26)(H2,21,23,27)
InChIKeyNBRAZSVPGGNJFH-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.66
Rot. Bonds4

About 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 55738803) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID55738803
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)NC2CCCc3c2cnn3C)c(C)c1
InChIInChI=1S/C20H27N5O2/c1-12-8-13(2)19(14(3)9-12)24-18(26)11-21-20(27)23-16-6-5-7-17-15(16)10-22-25(17)4/h8-10,16H,5-7,11H2,1-4H3,(H,24,26)(H2,21,23,27)
InChIKeyNBRAZSVPGGNJFH-UHFFFAOYSA-N
XLogP2.66
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
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CID 47026059
1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
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N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
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2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
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CID 55635561
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
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2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
CID 42956258
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 55738803) is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)NC2CCCc3c2cnn3C)c(C)c1.
What is the InChIKey of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NBRAZSVPGGNJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-12-8-13(2)19(14(3)9-12)24-18(26)11-21-20(27)23-16-6-5-7-17-15(16)10-22-25(17)4/h8-10,16H,5-7,11H2,1-4H3,(H,24,26)(H2,21,23,27).
What are the key properties of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 55738803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).