N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

C20H29FN2O — CID 27106314

IUPACN-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)NC1CCCCCCC1
InChIInChI=1S/C20H29FN2O/c21-19-11-7-6-8-16(19)14-23(18-12-13-18)15-20(24)22-17-9-4-2-1-3-5-10-17/h6-8,11,17-18H,1-5,9-10,12-15H2,(H,22,24)
InChIKeyOSKPGOLRBNINQV-UHFFFAOYSA-N
MW332.46 g/mol
LogP4.02
Rot. Bonds6

About N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 27106314) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID27106314
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC NameN-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)NC1CCCCCCC1
InChIInChI=1S/C20H29FN2O/c21-19-11-7-6-8-16(19)14-23(18-12-13-18)15-20(24)22-17-9-4-2-1-3-5-10-17/h6-8,11,17-18H,1-5,9-10,12-15H2,(H,22,24)
InChIKeyOSKPGOLRBNINQV-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
ethyl 4-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8991821
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 78827920
N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8978259

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 27106314) is N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is O=C(CN(Cc1ccccc1F)C1CC1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is OSKPGOLRBNINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c21-19-11-7-6-8-16(19)14-23(18-12-13-18)15-20(24)22-17-9-4-2-1-3-5-10-17/h6-8,11,17-18H,1-5,9-10,12-15H2,(H,22,24).
What are the key properties of N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 332.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 27106314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).