N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide

C23H24N2O2 — CID 139996495

IUPACN-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2ccc3cc(C(C)C)cccc2-3)c1
InChIInChI=1S/C23H24N2O2/c1-15(2)16-6-5-9-21-17(12-16)10-11-18(21)14-22(26)25-20-8-4-7-19(13-20)23(27)24-3/h4-13,15H,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyURCWZWFMSGPSJH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.46
Rot. Bonds5

About N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide

N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide (PubChem CID 139996495) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide
PubChem CID139996495
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2ccc3cc(C(C)C)cccc2-3)c1
InChIInChI=1S/C23H24N2O2/c1-15(2)16-6-5-9-21-17(12-16)10-11-18(21)14-22(26)25-20-8-4-7-19(13-20)23(27)24-3/h4-13,15H,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyURCWZWFMSGPSJH-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-aminopropanoylamino)-N-methylbenzamide
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[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
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3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
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CID 43244627

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide (CID 139996495) is N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)Cc2ccc3cc(C(C)C)cccc2-3)c1.
What is the InChIKey of N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide?
The InChIKey is URCWZWFMSGPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15(2)16-6-5-9-21-17(12-16)10-11-18(21)14-22(26)25-20-8-4-7-19(13-20)23(27)24-3/h4-13,15H,14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide?
N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(5-propan-2-ylazulen-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 139996495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).