N-cyclooctyl-4-(2-methylpropanoylamino)benzamide

C19H28N2O2 — CID 3901295

IUPACN-cyclooctyl-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-14(2)18(22)20-17-12-10-15(11-13-17)19(23)21-16-8-6-4-3-5-7-9-16/h10-14,16H,3-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCVBFJTXZDJKCBZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.12
Rot. Bonds4

About N-cyclooctyl-4-(2-methylpropanoylamino)benzamide

N-cyclooctyl-4-(2-methylpropanoylamino)benzamide (PubChem CID 3901295) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cyclooctyl-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(2-methylpropanoylamino)benzamide
PubChem CID3901295
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-cyclooctyl-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-14(2)18(22)20-17-12-10-15(11-13-17)19(23)21-16-8-6-4-3-5-7-9-16/h10-14,16H,3-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCVBFJTXZDJKCBZ-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
CID 119747187
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 43878541
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
CID 103928702
4-[(2-amino-3,3-dimethylbutanoyl)amino]-N-cyclopropylbenzamide
CID 76887468
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-cyclooctyl-4-(2-methylpropanoylamino)benzamide (CID 3901295) is N-cyclooctyl-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclooctyl-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-cyclooctyl-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-4-(2-methylpropanoylamino)benzamide?
The InChIKey is CVBFJTXZDJKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)18(22)20-17-12-10-15(11-13-17)19(23)21-16-8-6-4-3-5-7-9-16/h10-14,16H,3-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-cyclooctyl-4-(2-methylpropanoylamino)benzamide?
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide has a molecular weight of 316.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 3901295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).