N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

C20H28N2O2 — CID 39896916

IUPACN-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C20H28N2O2/c1-14-12-18(14)20(24)22-17-11-7-8-15(13-17)19(23)21-16-9-5-3-2-4-6-10-16/h7-8,11,13-14,16,18H,2-6,9-10,12H2,1H3,(H,21,23)(H,22,24)/t14-,18-/m0/s1
InChIKeyOTROWJPKZNZGGX-KSSFIOAISA-N
MW328.46 g/mol
LogP4.12
Rot. Bonds4

About N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 39896916) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID39896916
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C20H28N2O2/c1-14-12-18(14)20(24)22-17-11-7-8-15(13-17)19(23)21-16-9-5-3-2-4-6-10-16/h7-8,11,13-14,16,18H,2-6,9-10,12H2,1H3,(H,21,23)(H,22,24)/t14-,18-/m0/s1
InChIKeyOTROWJPKZNZGGX-KSSFIOAISA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120598473
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 39896916) is N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is OTROWJPKZNZGGX-KSSFIOAISA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-12-18(14)20(24)22-17-11-7-8-15(13-17)19(23)21-16-9-5-3-2-4-6-10-16/h7-8,11,13-14,16,18H,2-6,9-10,12H2,1H3,(H,21,23)(H,22,24)/t14-,18-/m0/s1.
What are the key properties of N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 328.46 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-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 39896916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).