N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide

C20H28N4O2 — CID 55749397

IUPACN-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cc2c(C)nn(C)c2C)c1
InChIInChI=1S/C20H28N4O2/c1-6-13(2)22-20(26)17-9-7-8-16(10-17)12-21-19(25)11-18-14(3)23-24(5)15(18)4/h7-10,13H,6,11-12H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyTXNRIKMRXDXZFA-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.42
Rot. Bonds7

About N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide

N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide (PubChem CID 55749397) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
PubChem CID55749397
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cc2c(C)nn(C)c2C)c1
InChIInChI=1S/C20H28N4O2/c1-6-13(2)22-20(26)17-9-7-8-16(10-17)12-21-19(25)11-18-14(3)23-24(5)15(18)4/h7-10,13H,6,11-12H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyTXNRIKMRXDXZFA-UHFFFAOYSA-N
XLogP2.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[[[N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111951162
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490
3-fluoro-N-[3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 55893293
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
N-butan-2-yl-3-[[[N'-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111705581
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55749299
N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
CID 55870074
N-butan-2-yl-3-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzamide
CID 55794894
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide (CID 55749397) is N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)Cc2c(C)nn(C)c2C)c1.
What is the InChIKey of N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
The InChIKey is TXNRIKMRXDXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-6-13(2)22-20(26)17-9-7-8-16(10-17)12-21-19(25)11-18-14(3)23-24(5)15(18)4/h7-10,13H,6,11-12H2,1-5H3,(H,21,25)(H,22,26).
What are the key properties of N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide?
N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 55749397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).