N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide

C16H31N3O2 — CID 47016225

IUPACN-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)18-14(20)12-19(4)15(21)17-13-10-8-6-5-7-9-11-13/h13H,5-12H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyVUQRYBNQYRLXMA-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.66
Rot. Bonds3

About N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide

N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide (PubChem CID 47016225) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide
PubChem CID47016225
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)18-14(20)12-19(4)15(21)17-13-10-8-6-5-7-9-11-13/h13H,5-12H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyVUQRYBNQYRLXMA-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide
CID 116657767
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108958979
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272502

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide (CID 47016225) is N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide?
The InChIKey is VUQRYBNQYRLXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)18-14(20)12-19(4)15(21)17-13-10-8-6-5-7-9-11-13/h13H,5-12H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide?
N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide has a molecular weight of 297.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide is sourced from PubChem (CID 47016225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).