N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide

C19H29NO2 — CID 55763891

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
SMILESCC1CCC(C(C)C)C(NC(=O)COCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-14(2)17-10-9-15(3)11-18(17)20-19(21)13-22-12-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21)
InChIKeyOTQMFBNEUSWSEG-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.78
Rot. Bonds6

About N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide

N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide (PubChem CID 55763891) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
PubChem CID55763891
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
SMILESCC1CCC(C(C)C)C(NC(=O)COCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-14(2)17-10-9-15(3)11-18(17)20-19(21)13-22-12-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21)
InChIKeyOTQMFBNEUSWSEG-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 52637714
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide
CID 59992189
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
CID 22849622
N-[4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 86998394
N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid
CID 175008628

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide (CID 55763891) is N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide is CC1CCC(C(C)C)C(NC(=O)COCc2ccccc2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide?
The InChIKey is OTQMFBNEUSWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)17-10-9-15(3)11-18(17)20-19(21)13-22-12-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21).
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide?
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide has a molecular weight of 303.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 55763891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).