N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide

C22H36N2O3 — CID 17053479

IUPACN-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cccc(CNC2CCCCCCC2)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C22H36N2O3/c1-22(2,3)24-20(25)16-27-21-17(11-10-14-19(21)26-4)15-23-18-12-8-6-5-7-9-13-18/h10-11,14,18,23H,5-9,12-13,15-16H2,1-4H3,(H,24,25)
InChIKeyCCMAACYUNIETCC-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.19
Rot. Bonds7

About N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide

N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide (PubChem CID 17053479) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
PubChem CID17053479
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cccc(CNC2CCCCCCC2)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C22H36N2O3/c1-22(2,3)24-20(25)16-27-21-17(11-10-14-19(21)26-4)15-23-18-12-8-6-5-7-9-13-18/h10-11,14,18,23H,5-9,12-13,15-16H2,1-4H3,(H,24,25)
InChIKeyCCMAACYUNIETCC-UHFFFAOYSA-N
XLogP4.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053366
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
2-[3-bromo-2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]-N-tert-butylacetamide
CID 66536159
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
CID 17057784

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide (CID 17053479) is N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide is COc1cccc(CNC2CCCCCCC2)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide?
The InChIKey is CCMAACYUNIETCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-22(2,3)24-20(25)16-27-21-17(11-10-14-19(21)26-4)15-23-18-12-8-6-5-7-9-13-18/h10-11,14,18,23H,5-9,12-13,15-16H2,1-4H3,(H,24,25).
What are the key properties of N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide?
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide has a molecular weight of 376.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 17053479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).