N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide

C22H23N3O2 — CID 51321090

IUPACN-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C22H23N3O2/c1-15(2)14-24-22(27)18-10-3-4-11-19(18)25-20(26)13-17-8-5-7-16-9-6-12-23-21(16)17/h3-12,15H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVDOBDJRQYVBZLF-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.80
Rot. Bonds6

About N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide

N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide (PubChem CID 51321090) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
PubChem CID51321090
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C22H23N3O2/c1-15(2)14-24-22(27)18-10-3-4-11-19(18)25-20(26)13-17-8-5-7-16-9-6-12-23-21(16)17/h3-12,15H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVDOBDJRQYVBZLF-UHFFFAOYSA-N
XLogP3.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 120617700
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
methyl (2S)-4-methyl-2-[[(2-quinolin-8-ylacetyl)amino]methyl]pentanoate
CID 95981734
2-chloro-N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24662624
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-(2-methylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949075
N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 131951730
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide (CID 51321090) is N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide?
The InChIKey is VDOBDJRQYVBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)14-24-22(27)18-10-3-4-11-19(18)25-20(26)13-17-8-5-7-16-9-6-12-23-21(16)17/h3-12,15H,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide?
N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide has a molecular weight of 361.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide is sourced from PubChem (CID 51321090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).