N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide

C19H29NO2 — CID 167366096

IUPACN-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide
SMILESCC(C)C(=O)CCCCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-14(2)16-9-11-17(12-10-16)19(22)20-13-7-5-6-8-18(21)15(3)4/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,22)
InChIKeyQOTVWTHWJBJZNU-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.33
Rot. Bonds9

About N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide

N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide (PubChem CID 167366096) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide
PubChem CID167366096
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide
SMILESCC(C)C(=O)CCCCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-14(2)16-9-11-17(12-10-16)19(22)20-13-7-5-6-8-18(21)15(3)4/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,22)
InChIKeyQOTVWTHWJBJZNU-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 104681984
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
6-[[4-[(2-methylpropanoylamino)methyl]benzoyl]amino]hexanoic acid
CID 39186918
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide (CID 167366096) is N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide is CC(C)C(=O)CCCCCNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide?
The InChIKey is QOTVWTHWJBJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)16-9-11-17(12-10-16)19(22)20-13-7-5-6-8-18(21)15(3)4/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,22).
What are the key properties of N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide?
N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-6-oxooctyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 167366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).